data_Cd2CuRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   4.86
_cell_angle_alpha   112.03
_cell_angle_beta   112.03
_cell_angle_gamma   31.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuRu
_chemical_formula_sum   'Cd2 Cu1 Ru1'
_cell_volume   67.64
_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  1.0  0.0  0.29  1.0
  Cd  Cd1  1  0.16  0.0  0.07  1.0
  Cu  Cu2  1  0.96  0.0  0.45  1.0
  Ru  Ru3  1  0.55  0.0  0.91  1.0

data_Cd2CuRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.86
_cell_length_c   5.37
_cell_angle_alpha   112.03
_cell_angle_beta   105.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuRu
_chemical_formula_sum   'Cd2 Cu1 Ru1'
_cell_volume   67.64
_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  0.07  0.16  1.0
  Cd  Cd1  1  0.0  0.29  1.0  1.0
  Cu  Cu2  1  0.0  0.45  0.96  1.0
  Ru  Ru3  1  0.0  0.91  0.55  1.0

Cd Cd Cu Ru