data_Cd2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.1
_cell_angle_alpha   101.45
_cell_angle_beta   101.45
_cell_angle_gamma   33.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RuAu
_chemical_formula_sum   'Cd2 Ru1 Au1'
_cell_volume   73.54
_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
  Cd  Cd1  1  0.84  0.0  0.89  1.0
  Cd  Cd2  1  0.25  0.0  0.39  1.0
  Ru  Ru3  1  0.52  0.0  0.41  1.0
  Au  Au0  1  0.59  0.0  0.77  1.0

data_Cd2RuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.1
_cell_length_c   5.19
_cell_angle_alpha   101.45
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RuAu
_chemical_formula_sum   'Cd2 Ru1 Au1'
_cell_volume   73.54
_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
  Cd  Cd0  1  0.0  0.39  0.25  1.0
  Cd  Cd1  1  0.0  0.89  0.84  1.0
  Ru  Ru2  1  0.0  0.41  0.52  1.0
  Au  Au3  1  0.0  0.77  0.59  1.0

Cd Cd Ru Au