data_KNb2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2V
_chemical_formula_sum   'K1 Nb2 V1'
_cell_volume   79.89
_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  0.0  1.0
  Nb  Nb1  1  0.48  0.59  0.31  1.0
  Nb  Nb2  1  0.48  0.41  0.31  1.0
  V  V3  1  0.96  0.0  0.0  1.0

data_KNb2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   5.92
_cell_length_c   5.96
_cell_angle_alpha   119.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2V
_chemical_formula_sum   'K1 Nb2 V1'
_cell_volume   79.89
_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  0.0  1.0
  Nb  Nb1  1  0.31  0.41  0.89  1.0
  Nb  Nb2  1  0.31  0.59  0.06  1.0
  V  V3  1  0.0  0.0  0.96  1.0

K Nb Nb V
K Nb Nb V 0 3 - o o 1 2 o o o 