data_NbVCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVCl2
_chemical_formula_sum   'Nb1 V1 Cl2'
_cell_volume   70.08
_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
  Nb  Nb2  1  0.0  0.0  0.2  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.46  0.0  0.04  1.0
  Cl  Cl1  1  0.46  0.0  0.36  1.0

data_NbVCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.21
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVCl2
_chemical_formula_sum   'Nb1 V1 Cl2'
_cell_volume   70.08
_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
  Nb  Nb0  1  0.0  0.0  0.2  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.46  0.04  1.0
  Cl  Cl3  1  0.0  0.46  0.36  1.0

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