data_VCrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   152.08
_cell_angle_beta   152.08
_cell_angle_gamma   39.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrCl
_chemical_formula_sum   'V1 Cr1 Cl1'
_cell_volume   50.63
_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  0.71  1.0
  Cr  Cr1  1  0.0  0.0  0.51  1.0
  Cl  Cl0  1  0.0  0.0  0.32  1.0

data_VCrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   109.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCrCl
_chemical_formula_sum   'V2 Cr2 Cl2'
_cell_volume   101.27
_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
  V  V0  2  0.21  0.5  0.71  1.0
  Cr  Cr1  2  0.01  0.5  0.51  1.0
  Cl  Cl2  2  0.32  0.0  0.32  1.0

V Cr Cl
V Cr Cl 0 1 o o o 1 2 o o o 