data_[Cu1Sb2Pb1]
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 [P-1]
_cell_length_a [4.0826]
_cell_length_b [4.4841]
_cell_length_c [6.1544]
_cell_angle_alpha [108.5970]
_cell_angle_beta [97.5102]
_cell_angle_gamma [98.2849]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuSb2Pb]
_chemical_formula_sum '[Cu1 Sb2 Pb1]'
_cell_volume [103.7790]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Sb  Sb1  2  0.0107  0.7105  0.3073  1
  Pb  Pb2  1  0.5000  0.0000  0.0000  1
]