data_[Cu4As2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.9935]
_cell_length_b [4.0514]
_cell_length_c [6.3260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2AsPb]
_chemical_formula_sum '[Cu4 As2 Pb2]'
_cell_volume [165.4413]
_cell_formula_units_Z [2]
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  2  0.0037  0.0000  0.0168  1.0
  Cu  Cu1  2  0.2114  0.5000  0.1356  1.0
  As  As2  2  0.2975  0.0000  0.9024  1.0
  Pb  Pb3  2  0.4875  0.0000  0.4452  1.0
]