data_V2CrBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   139.19
_cell_angle_beta   139.19
_cell_angle_gamma   59.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrBr
_chemical_formula_sum   'V2 Cr1 Br1'
_cell_volume   54.85
_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  0.76  0.0  0.2  1.0
  V  V3  1  0.0  0.76  0.2  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.4  1.0

data_V2CrBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   119.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2CrBr
_chemical_formula_sum   'V4 Cr2 Br2'
_cell_volume   109.69
_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  4  0.32  0.12  0.44  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.4  0.0  0.4  1.0

V V Cr Br