data_[K8V8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9832]
_cell_length_b [4.7141]
_cell_length_c [14.2009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KV]
_chemical_formula_sum '[K8 V8]'
_cell_volume [601.3698]
_cell_formula_units_Z [8]
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  4  0.1564  0.2500  0.7217  1
  K  K1  4  0.1704  0.2500  0.4305  1
  V  V2  4  0.0206  0.2500  0.9653  1
  V  V3  4  0.0875  0.2500  0.0908  1
]