data_CdSiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   148.08
_cell_angle_beta   133.06
_cell_angle_gamma   57.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiRu2
_chemical_formula_sum   'Cd1 Si1 Ru2'
_cell_volume   60.94
_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  0.16  0.19  1.0
  Si  Si3  1  0.0  0.0  0.5  1.0
  Ru  Ru1  1  0.0  0.0  0.17  1.0
  Ru  Ru2  1  0.49  0.0  0.63  1.0

data_CdSiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.31
_cell_length_c   5.42
_cell_angle_alpha   113.47
_cell_angle_beta   105.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiRu2
_chemical_formula_sum   'Cd1 Si1 Ru2'
_cell_volume   60.94
_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  0.81  0.97  0.97  1.0
  Si  Si1  1  0.5  0.5  0.5  1.0
  Ru  Ru2  1  0.83  0.83  0.83  1.0
  Ru  Ru3  1  0.86  0.37  0.86  1.0

Cd Si Ru Ru
Cd Si Ru Ru 0 2 o o o 0 3 o o o 0 3 - o - 1 2 o o o 1 3 o o o 2 3 o o o 2 3 - o - 