data_VBAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.81
_cell_angle_alpha   103.64
_cell_angle_beta   103.64
_cell_angle_gamma   119.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBAu2
_chemical_formula_sum   'V1 B1 Au2'
_cell_volume   58.77
_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  0.62  0.0  0.0  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.65  0.74  0.24  1.0
  Au  Au1  1  0.65  0.26  0.24  1.0

data_VBAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.64
_cell_length_c   5.23
_cell_angle_alpha   115.09
_cell_angle_beta   103.64
_cell_angle_gamma   94.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBAu2
_chemical_formula_sum   'V1 B1 Au2'
_cell_volume   58.77
_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  0.62  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.5  0.26  0.91  1.0
  Au  Au3  1  0.97  0.74  0.39  1.0

V B Au Au