data_TiVCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06
_cell_length_b   8.06
_cell_length_c   8.06
_cell_angle_alpha   21.34
_cell_angle_beta   21.34
_cell_angle_gamma   21.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVCl2
_chemical_formula_sum   'Ti1 V1 Cl2'
_cell_volume   60.8
_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
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.7  1.0
  Cl  Cl1  1  0.0  0.0  0.92  1.0

data_TiVCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   2.99
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   102.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiVCl2
_chemical_formula_sum   'Ti2 V2 Cl4'
_cell_volume   121.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.19  1.0
  Cl  Cl2  2  0.0  0.0  0.08  1.0
  Cl  Cl3  2  0.0  0.0  0.3  1.0

Ti V Cl Cl