data_[K6V3In3Br18]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8996]
_cell_length_b [7.8996]
_cell_length_c [19.5149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2VInBr6]
_chemical_formula_sum '[K6 V3 In3 Br18]'
_cell_volume [1054.6333]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4583  1.0
  K  K1  3  0.0000  0.0000  0.9669  1.0
  V  V2  3  0.0000  0.0000  0.6776  1.0
  In  In3  3  0.0000  0.0000  0.1842  1.0
  Br  Br4  9  0.0398  0.4313  0.4181  1.0
  Br  Br5  9  0.0977  0.7175  0.2658  1.0
]