data_VNiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   131.02
_cell_angle_beta   131.02
_cell_angle_gamma   71.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiAu2
_chemical_formula_sum   'V1 Ni1 Au2'
_cell_volume   60.84
_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
  Ni  Ni2  1  0.0  0.0  0.87  1.0
  Au  Au0  1  0.98  0.0  0.94  1.0
  Au  Au1  1  0.0  0.98  0.94  1.0

data_VNiAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   125.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VNiAu2
_chemical_formula_sum   'V2 Ni2 Au4'
_cell_volume   121.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.13  0.0  0.13  1.0
  Au  Au2  4  0.05  0.01  0.05  1.0

V Ni Au Au
V Ni Au Au 0 2 - o - 0 3 o - - 1 2 - o o 1 3 o - o 2 3 + - o 