data_VCdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.66
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdBr2
_chemical_formula_sum   'V1 Cd1 Br2'
_cell_volume   102.2
_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  0.31  0.0  0.19  1.0
  Cd  Cd2  1  0.37  0.83  0.28  1.0
  Br  Br0  1  0.28  0.83  0.42  1.0
  Br  Br1  1  0.51  0.0  0.78  1.0

data_VCdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.93
_cell_length_c   7.28
_cell_angle_alpha   102.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCdBr2
_chemical_formula_sum   'V1 Cd1 Br2'
_cell_volume   102.2
_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  0.69  0.81  1.0
  Cd  Cd1  1  0.17  0.63  0.72  1.0
  Br  Br2  1  0.0  0.49  0.22  1.0
  Br  Br3  1  0.17  0.72  0.58  1.0

V Cd Br Br