data_[K1Li1V2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.9526]
_cell_length_b [6.9526]
_cell_length_c [9.7317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [KLi(VBr4)2]
_chemical_formula_sum '[K1 Li1 V2 Br8]'
_cell_volume [407.3913]
_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  0.0000  1.0
  Li  Li1  1  0.0000  0.0000  0.5000  1.0
  V  V2  2  0.3333  0.6667  0.2556  1.0
  Br  Br3  6  0.0149  0.6904  0.3242  1.0
  Br  Br4  2  0.3333  0.6667  0.0116  1.0
]