data_V2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.16
_cell_angle_alpha   103.16
_cell_angle_beta   103.16
_cell_angle_gamma   36.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2AuBr
_chemical_formula_sum   'V2 Au1 Br1'
_cell_volume   70.22
_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  0.69  0.0  0.95  1.0
  V  V3  1  0.54  0.0  0.96  1.0
  Au  Au0  1  0.06  0.0  0.77  1.0
  Br  Br1  1  0.54  0.0  0.84  1.0

data_V2AuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.83
_cell_length_c   5.16
_cell_angle_alpha   103.16
_cell_angle_beta   90.0
_cell_angle_gamma   108.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2AuBr
_chemical_formula_sum   'V2 Au1 Br1'
_cell_volume   70.22
_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  0.31  0.05  1.0
  V  V1  1  0.0  0.46  0.04  1.0
  Au  Au2  1  0.0  0.94  0.23  1.0
  Br  Br3  1  0.0  0.46  0.16  1.0

V V Au Br