data_VGa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   127.01
_cell_angle_beta   127.01
_cell_angle_gamma   78.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Br
_chemical_formula_sum   'V1 Ga2 Br1'
_cell_volume   77.2
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.88  1.0
  Ga  Ga2  1  0.0  0.23  0.94  1.0
  Br  Br0  1  0.23  0.0  0.94  1.0

data_VGa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.0
_cell_angle_alpha   116.5
_cell_angle_beta   116.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Br
_chemical_formula_sum   'V1 Ga2 Br1'
_cell_volume   77.2
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.71  0.94  0.71  1.0
  Ga  Ga2  1  0.88  0.88  0.88  1.0
  Br  Br3  1  0.94  0.71  0.71  1.0

V Ga Ga Br