data_[Ba2Ca2In2Bi2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9283]
_cell_length_b [6.0044]
_cell_length_c [8.4253]
_cell_angle_alpha [90.1452]
_cell_angle_beta [90.1170]
_cell_angle_gamma [90.1844]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCaInBiO6]
_chemical_formula_sum '[Ba2 Ca2 In2 Bi2 O12]'
_cell_volume [299.9061]
_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  2  0.0050  0.0345  0.2504  1.0
  Ca  Ca1  2  0.4882  0.5463  0.2501  1.0
  In  In2  1  0.0000  0.5000  0.5000  1.0
  In  In3  1  0.5000  0.0000  0.0000  1.0
  Bi  Bi4  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  1  0.5000  0.0000  0.5000  1.0
  O  O6  2  0.1082  0.5043  0.7534  1.0
  O  O7  2  0.2128  0.7813  0.0417  1.0
  O  O8  2  0.2153  0.7858  0.4625  1.0
  O  O9  2  0.2951  0.3016  0.0566  1.0
  O  O10  2  0.3052  0.2963  0.4460  1.0
  O  O11  2  0.4334  0.0587  0.7479  1.0
]