data_KNbV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   155.82
_cell_angle_beta   147.01
_cell_angle_gamma   41.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbV
_chemical_formula_sum   'K1 Nb1 V1'
_cell_volume   78.82
_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  0.0  0.0  0.24  1.0
  Nb  Nb1  1  0.0  0.0  0.37  1.0
  V  V2  1  0.0  0.0  0.87  1.0

data_KNbV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.02
_cell_length_c   7.08
_cell_angle_alpha   106.49
_cell_angle_beta   102.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbV
_chemical_formula_sum   'K1 Nb1 V1'
_cell_volume   78.82
_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  0.76  0.76  0.76  1.0
  Nb  Nb1  1  0.63  0.63  0.63  1.0
  V  V2  1  0.13  0.13  0.13  1.0

K Nb V
K Nb V 0 1 o o o 0 2 o o - 2 2 o + + 