data_VAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.24
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   100.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAu2Br
_chemical_formula_sum   'V1 Au2 Br1'
_cell_volume   87.08
_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  0.64  0.0  0.44  1.0
  Au  Au0  1  0.46  0.62  0.21  1.0
  Au  Au1  1  0.24  0.0  0.08  1.0
  Br  Br2  1  0.66  0.62  0.36  1.0

data_VAu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.64
_cell_length_c   7.52
_cell_angle_alpha   100.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAu2Br
_chemical_formula_sum   'V1 Au2 Br1'
_cell_volume   87.08
_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  0.36  0.56  1.0
  Au  Au1  1  0.0  0.76  0.92  1.0
  Au  Au2  1  0.38  0.54  0.79  1.0
  Br  Br3  1  0.38  0.34  0.64  1.0

V Au Au Br