data_[K4Cr4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9700]
_cell_length_b [6.4084]
_cell_length_c [7.1583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCrBr4]
_chemical_formula_sum '[K4 Cr4 Br16]'
_cell_volume [709.5919]
_cell_formula_units_Z [4]
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  4  0.0000  0.1736  0.2500  1.0
  Cr  Cr1  4  0.2500  0.2500  0.0000  1.0
  Br  Br2  8  0.1001  0.3760  0.9405  1.0
  Br  Br3  8  0.1982  0.0653  0.6684  1.0
]