data_[Cu4Bi4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [11.4312]
_cell_length_b [11.4312]
_cell_length_c [4.3008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [CuBiPb3]
_chemical_formula_sum '[Cu4 Bi4 Pb12]'
_cell_volume [561.9949]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cu  Cu0  4  0.0780  0.9220  0.5000  1.0
  Bi  Bi1  4  0.1946  0.8054  0.0000  1.0
  Pb  Pb2  8  0.0034  0.6694  0.5000  1.0
  Pb  Pb3  4  0.1051  0.1051  0.0000  1.0
]