data_Ni2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   149.26
_cell_angle_beta   129.58
_cell_angle_gamma   60.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2RuAu
_chemical_formula_sum   'Ni2 Ru1 Au1'
_cell_volume   54.44
_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
  Ni  Ni1  1  0.0  0.0  0.17  1.0
  Ni  Ni2  1  0.37  0.0  0.18  1.0
  Ru  Ru3  1  0.0  0.0  0.3  1.0
  Au  Au0  1  0.0  0.21  0.32  1.0

data_Ni2RuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.42
_cell_length_c   5.18
_cell_angle_alpha   115.21
_cell_angle_beta   105.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2RuAu
_chemical_formula_sum   'Ni2 Ru1 Au1'
_cell_volume   54.44
_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
  Ni  Ni0  1  0.19  0.82  0.19  1.0
  Ni  Ni1  1  0.83  0.83  0.83  1.0
  Ru  Ru2  1  0.7  0.7  0.7  1.0
  Au  Au3  1  0.68  0.89  0.89  1.0

Ni Ni Ru Au