data_[Cu2Bi4Ir2O12]
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
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5931]
_cell_length_b [6.2064]
_cell_length_c [9.2195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuBi2IrO6]
_chemical_formula_sum '[Cu2 Bi4 Ir2 O12]'
_cell_volume [259.7102]
_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  0.0000  0.0000  0.5000  1.0
  Bi  Bi1  4  0.2455  0.0739  0.2388  1.0
  Ir  Ir2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1344  0.0530  0.7480  1.0
  O  O4  4  0.2086  0.6539  0.5288  1.0
  O  O5  4  0.4014  0.2309  0.5717  1.0
]