data_NaVCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   3.69
_cell_angle_alpha   95.62
_cell_angle_beta   95.62
_cell_angle_gamma   29.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVCl2
_chemical_formula_sum   'Na1 V1 Cl2'
_cell_volume   87.66
_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
  Na  Na2  1  0.95  0.0  0.58  1.0
  V  V3  1  0.42  0.0  0.08  1.0
  Cl  Cl0  1  0.55  0.0  0.33  1.0
  Cl  Cl1  1  0.72  0.0  0.19  1.0

data_NaVCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.69
_cell_length_c   6.95
_cell_angle_alpha   95.62
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVCl2
_chemical_formula_sum   'Na1 V1 Cl2'
_cell_volume   87.66
_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
  Na  Na0  1  0.0  0.58  0.95  1.0
  V  V1  1  0.0  0.08  0.42  1.0
  Cl  Cl2  1  0.0  0.19  0.72  1.0
  Cl  Cl3  1  0.0  0.33  0.55  1.0

Na V Cl Cl
Na V Cl Cl 0 3 o o o 1 2 o o o 2 3 o o o 