data_[Cr4Bi4As4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0425]
_cell_length_b [5.0425]
_cell_length_c [12.9812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cr2Bi2As2O]
_chemical_formula_sum '[Cr4 Bi4 As4 O2]'
_cell_volume [330.0736]
_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
[
  Cr  Cr0  4  0.0000  0.0000  0.3369  1
  Bi  Bi1  4  0.0000  0.5000  0.0000  1
  As  As2  4  0.0000  0.0000  0.1399  1
  O  O3  2  0.0000  0.0000  0.5000  1
]