scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al2', 'Si2' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al11', 'Si11' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al12', 'Si12' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al3', 'Si3' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al4', 'Si4' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al5', 'Si5' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al6', 'Si6' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al7', 'Si7' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al8', 'Si8' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al9', 'Si9' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, atoms 'Al10', 'Si10' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_0: NOTE, 11 site(s) were marked as disorder assemblies.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al2', 'Si2' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al11', 'Si11' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al12', 'Si12' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al3', 'Si3' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al4', 'Si4' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al5', 'Si5' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al6', 'Si6' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al7', 'Si7' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al8', 'Si8' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al9', 'Si9' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al10', 'Si10' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, 11 site(s) were marked as disorder assemblies.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al2', 'Si2' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al11', 'Si11' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al12', 'Si12' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al3', 'Si3' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al4', 'Si4' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al5', 'Si5' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al6', 'Si6' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al7', 'Si7' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al8', 'Si8' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al9', 'Si9' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, atoms 'Al10', 'Si10' were marked as alternatives.
scripts/cif_mark_disorder: tests/cases/cif_mark_disorder_016.inp data_9000025_1: NOTE, 11 site(s) were marked as disorder assemblies.
data_9000025_0
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.3
_cell_length_b                   5.3
_cell_length_c                   60.0
_cell_volume                     1459.599
_cod_depositor_comments
;
  The following automatic conversions were performed:

  Atoms 'Al2', 'Si2' were marked as alternatives.
  Atoms 'Al11', 'Si11' were marked as alternatives.
  Atoms 'Al12', 'Si12' were marked as alternatives.
  Atoms 'Al3', 'Si3' were marked as alternatives.
  Atoms 'Al4', 'Si4' were marked as alternatives.
  Atoms 'Al5', 'Si5' were marked as alternatives.
  Atoms 'Al6', 'Si6' were marked as alternatives.
  Atoms 'Al7', 'Si7' were marked as alternatives.
  Atoms 'Al8', 'Si8' were marked as alternatives.
  Atoms 'Al9', 'Si9' were marked as alternatives.
  Atoms 'Al10', 'Si10' were marked as alternatives.

  Automatic conversion script
  Id: <script_name> <revision_nr> <date> <time> <author> 
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 0.33330 0.83330 0.04400 0.75000 X 1
Si2 0.66670 0.50000 0.04400 0.75000 1 1
Si3 0.00000 0.16670 0.54400 0.75000 4 2
Si4 0.33330 0.83330 0.54400 0.75000 5 2
Si5 0.66670 0.83330 0.21070 0.75000 6 2
Si6 0.00000 0.50000 0.21070 0.75000 7 2
Si7 0.66670 0.50000 0.12270 0.75000 8 2
Si8 0.33330 0.83330 0.12270 0.75000 9 2
Si9 0.00000 0.83330 0.37730 0.75000 10 2
Si10 0.66670 0.16670 0.37730 0.75000 11 2
Si11 0.00000 0.50000 0.28930 0.75000 2 1
Si12 0.66670 0.83330 0.28930 0.75000 3 1
Al1 0.33330 0.83330 0.04400 0.25000 X 2
Al2 0.66670 0.50000 0.04400 0.25000 1 2
Al3 0.00000 0.16670 0.54400 0.25000 4 1
Al4 0.33330 0.83330 0.54400 0.25000 5 1
Al5 0.66670 0.83330 0.21070 0.25000 6 1
Al6 0.00000 0.50000 0.21070 0.25000 7 1
Al7 0.66670 0.50000 0.12270 0.25000 8 1
Al8 0.33330 0.83330 0.12270 0.25000 9 1
Al9 0.00000 0.83330 0.37730 0.25000 10 1
Al10 0.66670 0.16670 0.37730 0.25000 11 1
Al11 0.00000 0.50000 0.28930 0.25000 2 2
Al12 0.66670 0.83330 0.28930 0.25000 3 2
data_9000025_1
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.3
_cell_length_b                   5.3
_cell_length_c                   60.0
_cell_volume                     1459.599
_cod_depositor_comments
;
  The following automatic conversions were performed:

  Atoms 'Al2', 'Si2' were marked as alternatives.
  Atoms 'Al11', 'Si11' were marked as alternatives.
  Atoms 'Al12', 'Si12' were marked as alternatives.
  Atoms 'Al3', 'Si3' were marked as alternatives.
  Atoms 'Al4', 'Si4' were marked as alternatives.
  Atoms 'Al5', 'Si5' were marked as alternatives.
  Atoms 'Al6', 'Si6' were marked as alternatives.
  Atoms 'Al7', 'Si7' were marked as alternatives.
  Atoms 'Al8', 'Si8' were marked as alternatives.
  Atoms 'Al9', 'Si9' were marked as alternatives.
  Atoms 'Al10', 'Si10' were marked as alternatives.

  Automatic conversion script
  Id: <script_name> <revision_nr> <date> <time> <author> 
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 0.33330 0.83330 0.04400 0.75000 9 1
Si2 0.66670 0.50000 0.04400 0.75000 10 1
Si3 0.00000 0.16670 0.54400 0.75000 13 2
Si4 0.33330 0.83330 0.54400 0.75000 14 2
Si5 0.66670 0.83330 0.21070 0.75000 15 2
Si6 0.00000 0.50000 0.21070 0.75000 16 2
Si7 0.66670 0.50000 0.12270 0.75000 17 2
Si8 0.33330 0.83330 0.12270 0.75000 18 2
Si9 0.00000 0.83330 0.37730 0.75000 19 2
Si10 0.66670 0.16670 0.37730 0.75000 20 2
Si11 0.00000 0.50000 0.28930 0.75000 11 1
Si12 0.66670 0.83330 0.28930 0.75000 12 1
Al1 0.33330 0.83330 0.04400 0.25000 9 2
Al2 0.66670 0.50000 0.04400 0.25000 10 2
Al3 0.00000 0.16670 0.54400 0.25000 13 1
Al4 0.33330 0.83330 0.54400 0.25000 14 1
Al5 0.66670 0.83330 0.21070 0.25000 15 1
Al6 0.00000 0.50000 0.21070 0.25000 16 1
Al7 0.66670 0.50000 0.12270 0.25000 17 1
Al8 0.33330 0.83330 0.12270 0.25000 18 1
Al9 0.00000 0.83330 0.37730 0.25000 19 1
Al10 0.66670 0.16670 0.37730 0.25000 20 1
Al11 0.00000 0.50000 0.28930 0.25000 11 2
Al12 0.66670 0.83330 0.28930 0.25000 12 2
data_9000025_1
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.3
_cell_length_b                   5.3
_cell_length_c                   60.0
_cell_volume                     1459.599
_cod_depositor_comments
;
  The following automatic conversions were performed:

  Atoms 'Al2', 'Si2' were marked as alternatives.
  Atoms 'Al11', 'Si11' were marked as alternatives.
  Atoms 'Al12', 'Si12' were marked as alternatives.
  Atoms 'Al3', 'Si3' were marked as alternatives.
  Atoms 'Al4', 'Si4' were marked as alternatives.
  Atoms 'Al5', 'Si5' were marked as alternatives.
  Atoms 'Al6', 'Si6' were marked as alternatives.
  Atoms 'Al7', 'Si7' were marked as alternatives.
  Atoms 'Al8', 'Si8' were marked as alternatives.
  Atoms 'Al9', 'Si9' were marked as alternatives.
  Atoms 'Al10', 'Si10' were marked as alternatives.

  Automatic conversion script
  Id: <script_name> <revision_nr> <date> <time> <author> 
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 0.33330 0.83330 0.04400 0.75000 / 1
Si2 0.66670 0.50000 0.04400 0.75000 1 1
Si3 0.00000 0.16670 0.54400 0.75000 4 2
Si4 0.33330 0.83330 0.54400 0.75000 5 2
Si5 0.66670 0.83330 0.21070 0.75000 6 2
Si6 0.00000 0.50000 0.21070 0.75000 7 2
Si7 0.66670 0.50000 0.12270 0.75000 8 2
Si8 0.33330 0.83330 0.12270 0.75000 9 2
Si9 0.00000 0.83330 0.37730 0.75000 10 2
Si10 0.66670 0.16670 0.37730 0.75000 11 2
Si11 0.00000 0.50000 0.28930 0.75000 2 1
Si12 0.66670 0.83330 0.28930 0.75000 3 1
Al1 0.33330 0.83330 0.04400 0.25000 / 2
Al2 0.66670 0.50000 0.04400 0.25000 1 2
Al3 0.00000 0.16670 0.54400 0.25000 4 1
Al4 0.33330 0.83330 0.54400 0.25000 5 1
Al5 0.66670 0.83330 0.21070 0.25000 6 1
Al6 0.00000 0.50000 0.21070 0.25000 7 1
Al7 0.66670 0.50000 0.12270 0.25000 8 1
Al8 0.33330 0.83330 0.12270 0.25000 9 1
Al9 0.00000 0.83330 0.37730 0.25000 10 1
Al10 0.66670 0.16670 0.37730 0.25000 11 1
Al11 0.00000 0.50000 0.28930 0.25000 2 2
Al12 0.66670 0.83330 0.28930 0.25000 3 2
