data_[Cu2P4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9820]
_cell_length_b [3.3277]
_cell_length_c [18.9900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu(PPb)2]
_chemical_formula_sum '[Cu2 P4 Pb4]'
_cell_volume [693.9902]
_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  0.4594  0.0000  0.5593  1
  P  P1  2  0.1582  0.5000  0.5870  1
  P  P2  2  0.2567  0.0000  0.5350  1
  Pb  Pb3  2  0.2552  0.0000  0.3769  1
  Pb  Pb4  2  0.4906  0.5000  0.4419  1
]