data_[Cu8Bi6Pb2Se8O8]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.6154]
_cell_length_b [5.6154]
_cell_length_c [18.5955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cu4Bi3Pb(SeO)4]
_chemical_formula_sum '[Cu8 Bi6 Pb2 Se8 O8]'
_cell_volume [586.3575]
_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  8  0.2498  0.2498  0.7497  1.0
  Bi  Bi1  4  0.0000  0.5000  0.0663  1.0
  Bi  Bi2  2  0.0000  0.0000  0.9380  1.0
  Pb  Pb3  2  0.0000  0.0000  0.4239  1.0
  Se  Se4  4  0.0000  0.5000  0.3305  1.0
  Se  Se5  2  0.0000  0.0000  0.1680  1.0
  Se  Se6  2  0.0000  0.0000  0.6666  1.0
  O  O7  8  0.2443  0.7557  0.0027  1.0
]