data_V2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.7
_cell_angle_alpha   101.45
_cell_angle_beta   101.45
_cell_angle_gamma   35.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2RuAu
_chemical_formula_sum   'V2 Ru1 Au1'
_cell_volume   58.76
_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  0.0  0.0  0.09  1.0
  V  V3  1  0.53  0.0  0.43  1.0
  Ru  Ru1  1  0.41  0.0  0.99  1.0
  Au  Au0  1  0.96  0.0  0.38  1.0

data_V2RuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.68
_cell_length_c   4.7
_cell_angle_alpha   101.45
_cell_angle_beta   90.0
_cell_angle_gamma   107.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2RuAu
_chemical_formula_sum   'V2 Ru1 Au1'
_cell_volume   58.76
_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  0.47  0.57  1.0
  V  V1  1  0.0  1.0  0.91  1.0
  Ru  Ru2  1  0.0  0.59  0.01  1.0
  Au  Au3  1  0.0  0.04  0.62  1.0

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