data_CdCuRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   148.73
_cell_angle_beta   133.12
_cell_angle_gamma   57.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuRu
_chemical_formula_sum   'Cd1 Cu1 Ru1'
_cell_volume   46.54
_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  0.0  0.73  1.0
  Cu  Cu1  1  0.0  0.0  0.82  1.0
  Ru  Ru2  1  0.0  0.0  0.93  1.0

data_CdCuRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.96
_cell_length_c   4.98
_cell_angle_alpha   113.44
_cell_angle_beta   105.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuRu
_chemical_formula_sum   'Cd1 Cu1 Ru1'
_cell_volume   46.54
_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  0.27  0.27  0.27  1.0
  Cu  Cu1  1  0.18  0.18  0.18  1.0
  Ru  Ru2  1  0.07  0.07  0.07  1.0

Cd Cu Ru