data_[Cu4Bi12O24]
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 [Cmc2_1]
_cell_length_a [9.6174]
_cell_length_b [11.3028]
_cell_length_c [5.4971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cu(BiO2)3]
_chemical_formula_sum '[Cu4 Bi12 O24]'
_cell_volume [597.5535]
_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  4  0.0000  0.1268  0.5325  1.0
  Bi  Bi1  8  0.2016  0.1259  0.0341  1.0
  Bi  Bi2  4  0.0000  0.3967  0.0523  1.0
  O  O3  8  0.1459  0.4769  0.7820  1.0
  O  O4  8  0.1573  0.2339  0.3648  1.0
  O  O5  4  0.0000  0.0271  0.2405  1.0
  O  O6  4  0.0000  0.2169  0.8275  1.0
]