data_[Cu18Bi6O36]
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 [R-3]
_cell_length_a [9.4888]
_cell_length_b [9.4888]
_cell_length_c [9.1755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cu3BiO6]
_chemical_formula_sum '[Cu18 Bi6 O36]'
_cell_volume [715.4605]
_cell_formula_units_Z [6]
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  18  0.0271  0.3945  0.3587  1.0
  Bi  Bi1  3  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  3  0.0000  0.0000  0.5000  1.0
  O  O3  18  0.0140  0.7971  0.1278  1.0
  O  O4  18  0.0468  0.8331  0.6387  1.0
]