data_[K2Cr2As2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1975]
_cell_length_b [11.8881]
_cell_length_c [7.2786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KCrAsBr6]
_chemical_formula_sum '[K2 Cr2 As2 Br12]'
_cell_volume [621.5634]
_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
[
  K  K0  2  0.0000  0.9902  0.0000  1.0
  Cr  Cr1  2  0.0000  0.6634  0.5000  1.0
  As  As2  2  0.0000  0.3244  0.5000  1.0
  Br  Br3  4  0.1199  0.5105  0.7176  1.0
  Br  Br4  4  0.1696  0.1882  0.7221  1.0
  Br  Br5  4  0.1841  0.8130  0.6891  1.0
]