data_P432_molecule_0
_cell_length_a                   6.8
_cell_length_b                   6.8
_cell_length_c                   6.8
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_audit_creation_method
'Id: <script_name> <revision_nr> <date> <time> <author>'
_chemical_formula_sum            C7
_cod_data_source_file            cif_molecule_220.inp
_cod_data_source_block           P432
_cell_formula_units_Z            1
_space_group_name_H-M_alt        'P 1'
_cod_molecule_space_group_IT_number 207
_cod_molecule_is_polymer         no
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 0.000000 0.000000 0.000000
C2 0.000000 0.200000 0.000000
C2_2_455 -0.200000 0.000000 0.000000
C2_3_545 0.000000 -0.200000 0.000000
C2_4_555 0.200000 0.000000 0.000000
C2_9_555 0.000000 0.000000 0.200000
C2_13_554 0.000000 0.000000 -0.200000
loop_
_cod_molecule_atom_label
_cod_molecule_atom_orig_label
_cod_molecule_atom_symmetry
_cod_molecule_atom_symop_id
_cod_molecule_atom_symop_xyz
_cod_molecule_atom_transl_id
_cod_molecule_atom_transl_x
_cod_molecule_atom_transl_y
_cod_molecule_atom_transl_z
_cod_molecule_atom_mult
_cod_molecule_atom_mult_ratio
C1 C1 1_555 1 x,y,z 555 0 0 0 1 24
C2 C2 1_555 1 x,y,z 555 0 0 0 6 4
C2_2_455 C2 2_455 2 -y,x,z 455 -1 0 0 6 4
C2_3_545 C2 3_545 3 -x,-y,z 545 0 -1 0 6 4
C2_4_555 C2 4_555 4 y,-x,z 555 0 0 0 6 4
C2_9_555 C2 9_555 9 z,x,y 555 0 0 0 6 4
C2_13_554 C2 13_554 13 z,-x,-y 554 0 0 -1 6 4
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
C1 -y,x,z
C1 -x,-y,z
C1 y,-x,z
C1 x,-y,-z
C1 y,x,-z
C1 -x,y,-z
C1 -y,-x,-z
C1 z,x,y
C1 -x,z,y
C1 -z,-x,y
C1 x,-z,y
C1 z,-x,-y
C1 x,z,-y
C1 -z,x,-y
C1 -x,-z,-y
C1 y,z,x
C1 y,-z,-x
C1 z,y,-x
C1 -y,z,-x
C1 -z,-y,-x
C1 -y,-z,x
C1 z,-y,x
C1 -z,y,x
C2 -x,y,-z
C2 z,y,-x
C2 -z,y,x
C2_2_455 x,-y,-z
C2_2_455 x,z,-y
C2_2_455 x,-z,y
C2_3_545 -x,y,-z
C2_3_545 -z,y,x
C2_3_545 z,y,-x
C2_4_555 x,-y,-z
C2_4_555 x,-z,y
C2_4_555 x,z,-y
C2_9_555 -x,-y,z
C2_9_555 -y,x,z
C2_9_555 y,-x,z
C2_13_554 -x,-y,z
C2_13_554 y,-x,z
C2_13_554 -y,x,z
