data_[K2V2Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.9833]
_cell_length_b [9.0266]
_cell_length_c [8.2833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KVBr5]
_chemical_formula_sum '[K2 V2 Br10]'
_cell_volume [596.9147]
_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  0.3285  1
  V  V1  2  0.0000  0.5000  0.0252  1
  Br  Br2  4  0.0000  0.2252  0.0208  1
  Br  Br3  4  0.2427  0.0000  0.6674  1
  Br  Br4  2  0.0000  0.5000  0.7392  1
]