data_[K4I4Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4662]
_cell_length_b [11.6757]
_cell_length_c [5.7835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2I2Br7]
_chemical_formula_sum '[K4 I4 Br14]'
_cell_volume [903.0643]
_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  0.2386  0.0000  1.0
  I  I1  4  0.2246  0.0000  0.5542  1.0
  Br  Br2  8  0.2429  0.1797  0.1638  1.0
  Br  Br3  4  0.0773  0.5000  0.1919  1.0
  Br  Br4  2  0.0000  0.0000  0.5000  1.0
]