data_[Ca2Cr4Bi2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7434]
_cell_length_b [7.7855]
_cell_length_c [5.4822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaCr2BiO6]
_chemical_formula_sum '[Ca2 Cr4 Bi2 O12]'
_cell_volume [234.5287]
_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
[
  Ca  Ca0  2  0.2522  0.5000  0.5256  1.0
  Cr  Cr1  4  0.2653  0.2473  0.0322  1.0
  Bi  Bi2  2  0.2970  0.0000  0.5838  1.0
  O  O3  4  0.0083  0.3108  0.5313  1.0
  O  O4  4  0.0148  0.3074  0.0279  1.0
  O  O5  2  0.1676  0.0000  0.9054  1.0
  O  O6  2  0.3680  0.5000  0.1258  1.0
]