data_VIrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.71
_cell_angle_alpha   100.41
_cell_angle_beta   100.41
_cell_angle_gamma   33.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIrAu2
_chemical_formula_sum   'V1 Ir1 Au2'
_cell_volume   63.63
_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
  Ir  Ir2  1  0.32  0.0  0.31  1.0
  Au  Au0  1  0.9  0.0  0.14  1.0
  Au  Au1  1  0.74  0.0  0.49  1.0

data_VIrAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.71
_cell_length_c   4.98
_cell_angle_alpha   100.41
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIrAu2
_chemical_formula_sum   'V1 Ir1 Au2'
_cell_volume   63.63
_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
  Ir  Ir1  1  0.0  0.31  0.32  1.0
  Au  Au2  1  0.0  0.14  0.9  1.0
  Au  Au3  1  0.0  0.49  0.74  1.0

V Ir Au Au
V Ir Au Au 0 2 - o o 0 1 o o o 1 2 - o o 1 3 o o o 2 3 o o o 