data_[K4Cr4Br14]
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/m]
_cell_length_a [8.2560]
_cell_length_b [15.4796]
_cell_length_c [6.7005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cr2Br7]
_chemical_formula_sum '[K4 Cr4 Br14]'
_cell_volume [834.2775]
_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  4  0.0000  0.3031  0.5000  1
  Cr  Cr1  4  0.2279  0.5000  0.1285  1
  Br  Br2  8  0.2368  0.1550  0.7852  1
  Br  Br3  4  0.0521  0.5000  0.7616  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]