data_[K4Te2I4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Te  2.1000  1.4000  1.2933
  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 [13.6867]
_cell_length_b [7.8543]
_cell_length_c [8.0669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Te(IBr2)2]
_chemical_formula_sum '[K4 Te2 I4 Br8]'
_cell_volume [719.5306]
_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  0.2487  0.5000  0.7108  1
  Te  Te1  2  0.0000  0.0000  0.5000  1
  I  I2  4  0.2484  0.5000  0.1618  1
  Br  Br3  8  0.0491  0.2452  0.3142  1
]