data_VCuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   151.34
_cell_angle_beta   139.02
_cell_angle_gamma   50.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuBr2
_chemical_formula_sum   'V1 Cu1 Br2'
_cell_volume   88.86
_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  0.81  1.0
  Cu  Cu2  1  0.63  0.0  0.95  1.0
  Br  Br0  1  0.63  0.0  0.78  1.0
  Br  Br1  1  0.0  0.0  0.28  1.0

data_VCuBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.6
_cell_length_c   6.57
_cell_angle_alpha   110.49
_cell_angle_beta   104.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuBr2
_chemical_formula_sum   'V1 Cu1 Br2'
_cell_volume   88.86
_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  0.19  0.19  0.19  1.0
  Cu  Cu1  1  0.67  0.05  0.67  1.0
  Br  Br2  1  0.72  0.72  0.72  1.0
  Br  Br3  1  0.85  0.22  0.85  1.0

V Cu Br Br
V Cu Br Br 0 2 - o o 1 2 o o o 1 3 + o + 