data_[K2Tl1Sb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4692]
_cell_length_b [7.8848]
_cell_length_c [9.6965]
_cell_angle_alpha [86.0009]
_cell_angle_beta [78.1978]
_cell_angle_gamma [77.0208]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2TlSbBr8]
_chemical_formula_sum '[K2 Tl1 Sb1 Br8]'
_cell_volume [471.6305]
_cell_formula_units_Z [1]
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  2  0.1311  0.4923  0.7297  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.2038  0.7935  0.1868  1.0
  Br  Br4  2  0.2140  0.2453  0.0197  1.0
  Br  Br5  2  0.2877  0.3032  0.4278  1.0
  Br  Br6  2  0.3078  0.8632  0.7906  1.0
]