data_[Ba4Cu2Bi2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [11.2698]
_cell_length_b [5.6310]
_cell_length_c [5.6244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2CuBiO6]
_chemical_formula_sum '[Ba4 Cu2 Bi2 O12]'
_cell_volume [312.9092]
_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
[
  Ba  Ba0  4  0.2482  0.5000  0.7253  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.0000  0.5000  0.0000  1.0
  O  O3  8  0.0459  0.2324  0.3184  1.0
  O  O4  4  0.2088  0.5000  0.1600  1.0
]