data_V2CuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   6.22
_cell_angle_alpha   112.86
_cell_angle_beta   112.86
_cell_angle_gamma   38.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuBr
_chemical_formula_sum   'V2 Cu1 Br1'
_cell_volume   74.01
_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  0.25  0.0  0.86  1.0
  V  V3  1  0.86  0.0  0.81  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.06  0.0  0.83  1.0

data_V2CuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.59
_cell_length_c   6.13
_cell_angle_alpha   69.23
_cell_angle_beta   75.77
_cell_angle_gamma   70.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuBr
_chemical_formula_sum   'V2 Cu1 Br1'
_cell_volume   74.01
_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  0.05  0.81  1.0
  V  V1  1  0.0  0.4  0.86  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.22  0.83  1.0

V V Cu Br