data_VReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   153.04
_cell_angle_beta   141.66
_cell_angle_gamma   47.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VReCl2
_chemical_formula_sum   'V1 Re1 Cl2'
_cell_volume   79.12
_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  0.1  1.0
  Re  Re2  1  0.0  0.15  0.43  1.0
  Cl  Cl0  1  0.53  0.0  0.12  1.0
  Cl  Cl1  1  0.0  0.0  0.37  1.0

data_VReCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.31
_cell_length_c   6.56
_cell_angle_alpha   109.17
_cell_angle_beta   103.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VReCl2
_chemical_formula_sum   'V1 Re1 Cl2'
_cell_volume   79.12
_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  0.1  0.1  1.0
  Re  Re1  1  0.85  0.27  0.27  1.0
  Cl  Cl2  1  0.0  0.12  0.59  1.0
  Cl  Cl3  1  0.0  0.37  0.37  1.0

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