data_V2CrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrCl
_chemical_formula_sum   'V2 Cr1 Cl1'
_cell_volume   56.49
_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  V2  1  0.0  0.0  0.06  1.0
  V  V3  1  0.49  0.0  0.98  1.0
  Cr  Cr1  1  0.49  0.0  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.07  1.0

data_V2CrCl
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.81
_cell_length_b   7.94
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   115.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   V2CrCl
_chemical_formula_sum   'V2 Cr1 Cl1'
_cell_volume   56.49
_cell_formula_units_Z   1
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  1  0.0  0.02  0.0  1.0
  V  V1  1  0.5  0.94  0.0  1.0
  Cr  Cr2  1  0.0  0.19  0.0  1.0
  Cl  Cl3  1  0.5  0.93  0.0  1.0

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