data_[Cu4Bi4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6253]
_cell_length_b [3.6643]
_cell_length_c [6.6953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuBiO2]
_chemical_formula_sum '[Cu4 Bi4 O8]'
_cell_volume [281.0585]
_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  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi2  4  0.2427  0.0000  0.7405  1.0
  O  O3  4  0.1557  0.0000  0.1065  1.0
  O  O4  4  0.1575  0.5000  0.5155  1.0
]