data_VInCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   5.65
_cell_angle_alpha   114.13
_cell_angle_beta   114.13
_cell_angle_gamma   30.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInCl2
_chemical_formula_sum   'V1 In1 Cl2'
_cell_volume   103.56
_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
  V  V3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.88  0.0  0.56  1.0
  Cl  Cl0  1  0.12  0.0  0.31  1.0
  Cl  Cl1  1  0.65  0.0  0.8  1.0

data_VInCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.65
_cell_length_c   6.3
_cell_angle_alpha   114.13
_cell_angle_beta   105.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInCl2
_chemical_formula_sum   'V1 In1 Cl2'
_cell_volume   103.56
_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
  V  V0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.56  0.88  1.0
  Cl  Cl2  1  0.0  0.31  0.12  1.0
  Cl  Cl3  1  0.0  0.8  0.65  1.0

V In Cl Cl
V In Cl Cl 0 2 o o o 0 1 - o - 0 3 - o - 1 3 o o o 1 2 + o o 