data_[K1V1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6332]
_cell_length_b [7.7323]
_cell_length_c [8.9178]
_cell_angle_alpha [78.1447]
_cell_angle_beta [74.7036]
_cell_angle_gamma [87.4574]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KV(SnBr4)2]
_chemical_formula_sum '[K1 V1 Sn2 Br8]'
_cell_volume [431.7529]
_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  1  0.0000  0.0000  0.5000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4565  0.3860  0.7634  1.0
  Br  Br3  2  0.1831  0.7118  0.0926  1.0
  Br  Br4  2  0.1983  0.1759  0.1206  1.0
  Br  Br5  2  0.2455  0.6158  0.5234  1.0
  Br  Br6  2  0.3063  0.0673  0.7353  1.0
]