data_2310225_molecule_0
loop_
_publ_author_name
'Marsh, R.E.'
'Shoemaker, D.P.'
_publ_section_title
;
 The crystal structure of Na Pb
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              197
_journal_page_last               205
_journal_volume                  6
_journal_year                    1953
_[local]_cod_src_chemical_formula_sum 'Na Pb'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.58
_cell_length_b                   10.58
_cell_length_c                   17.746
_audit_creation_method
'Id: <script_name> <revision_nr> <date> <time> <author>'
_chemical_formula_sum            'Na4 Pb4'
_cod_data_source_file            cif_molecule_148.inp
_cod_data_source_block           2310225
_cell_formula_units_Z            1
_space_group_name_H-M_alt        'P 1'
_cod_molecule_space_group_IT_number 142
_cod_molecule_is_polymer         no
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
Na1 Na 0.250000 0.125000 0.125000 0.0 1
Na2 Na 0.625000 0.625000 0.250000 0.0 1
Pb1 Pb 0.069600 0.868600 0.063300 0.0 1
Na1_3_555 Na 0.250000 0.375000 0.625000 0.0 1
Na2_3_445 Na -0.125000 -0.125000 0.750000 0.0 1
Pb1_10_454 Pb -0.131400 0.930400 -0.063300 0.0 1
Pb1_19_465 Pb -0.069600 1.131400 0.063300 0.0 1
Pb1_28_564 Pb 0.131400 1.069600 -0.063300 0.0 1
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
Na1 Na1 1_555 1 x,y,z 555 0 0 0 16 2
Na2 Na2 1_555 1 x,y,z 555 0 0 0 16 2
Pb1 Pb1 1_555 1 x,y,z 555 0 0 0 32 1
Na1_3_555 Na1 3_555 3 -x+1/2,-y+1/2,z+1/2 555 0 0 0 16 2
Na2_3_445 Na2 3_445 3 -x+1/2,-y+1/2,z+1/2 445 -1 -1 0 16 2
Pb1_10_454 Pb1 10_454 10 y,-x,-z 454 -1 0 -1 32 1
Pb1_19_465 Pb1 19_465 19 -x,-y,z 465 -1 1 0 32 1
Pb1_28_564 Pb1 28_564 28 -y,x,-z 564 0 1 -1 32 1
loop_
_cod_molecule_transform_label
_cod_molecule_transform_symop
Na1 -x+1/2,y,-z+1/4
Na2 y,x,-z+1/2
Na1_3_555 -x+1/2,y,-z+1/4
Na2_3_445 y,x,-z+1/2
