data_VCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.7
_cell_angle_alpha   101.15
_cell_angle_beta   101.15
_cell_angle_gamma   40.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCl
_chemical_formula_sum   'V2 Cl2'
_cell_volume   74.36
_cell_formula_units_Z   2
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
  V  V2  1  0.95  0.0  0.3  1.0
  V  V3  1  0.44  0.0  0.28  1.0
  Cl  Cl0  1  0.65  0.0  0.1  1.0
  Cl  Cl1  1  0.74  0.0  0.48  1.0

data_VCl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.11
_cell_length_b   4.55
_cell_length_c   5.7
_cell_angle_alpha   101.15
_cell_angle_beta   90.0
_cell_angle_gamma   110.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VCl
_chemical_formula_sum   'V2 Cl2'
_cell_volume   74.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  V  V0  2  0.0  0.26  0.51  1.0
  Cl  Cl1  2  0.0  0.04  0.69  1.0

V V Cl Cl