data_Nb2VCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   141.11
_cell_angle_beta   141.11
_cell_angle_gamma   56.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VCl
_chemical_formula_sum   'Nb2 V1 Cl1'
_cell_volume   64.35
_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  Nb1  1  0.82  0.0  0.42  1.0
  Nb  Nb2  1  0.0  0.0  0.83  1.0
  V  V3  1  0.0  0.82  0.42  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Nb2VCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   5.48
_cell_angle_alpha   109.45
_cell_angle_beta   109.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VCl
_chemical_formula_sum   'Nb2 V1 Cl1'
_cell_volume   64.35
_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  0.42  0.59  0.59  1.0
  Nb  Nb1  1  0.83  0.83  0.83  1.0
  V  V2  1  0.59  0.42  0.59  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Nb Nb V Cl