data_[K12I4Br6Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.0379]
_cell_length_b [4.7750]
_cell_length_c [9.7322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K6I2Br3Cl]
_chemical_formula_sum '[K12 I4 Br6 Cl2]'
_cell_volume [951.5173]
_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  0.0032  0.0000  0.7622  1
  K  K1  4  0.1612  0.5000  0.5939  1
  K  K2  4  0.1618  0.5000  0.0673  1
  I  I3  4  0.1667  0.0000  0.3307  1
  Br  Br4  4  0.1663  0.0000  0.8356  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]