data_[Cu4Sb4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1979]
_cell_length_b [4.1103]
_cell_length_c [5.8623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuSbPb]
_chemical_formula_sum '[Cu4 Sb4 Pb4]'
_cell_volume [293.7153]
_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  0.2297  0.5000  0.3754  1.0
  Sb  Sb1  4  0.0932  0.0000  0.3293  1.0
  Pb  Pb2  4  0.1405  0.5000  0.8676  1.0
]