data_[K2Sb4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9464]
_cell_length_b [7.4983]
_cell_length_c [9.2417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(SbBr4)2]
_chemical_formula_sum '[K2 Sb4 Br16]'
_cell_volume [950.6464]
_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  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  4  0.2390  0.0000  0.6766  1.0
  Br  Br2  8  0.1504  0.2493  0.7868  1.0
  Br  Br3  4  0.0833  0.5000  0.1287  1.0
  Br  Br4  4  0.1341  0.0000  0.4033  1.0
]