data_CdSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.4
_cell_angle_alpha   97.09
_cell_angle_beta   97.09
_cell_angle_gamma   40.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi2Ru
_chemical_formula_sum   'Cd1 Si2 Ru1'
_cell_volume   68.32
_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  0.7  0.0  0.7  1.0
  Si  Si2  1  0.11  0.0  0.34  1.0
  Si  Si3  1  0.53  0.0  0.26  1.0
  Ru  Ru1  1  0.05  0.0  0.74  1.0

data_CdSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.43
_cell_length_c   5.4
_cell_angle_alpha   97.09
_cell_angle_beta   90.0
_cell_angle_gamma   110.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi2Ru
_chemical_formula_sum   'Cd1 Si2 Ru1'
_cell_volume   68.32
_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  0.3  0.3  1.0
  Si  Si1  1  0.0  0.47  0.74  1.0
  Si  Si2  1  0.0  0.89  0.66  1.0
  Ru  Ru3  1  0.0  0.95  0.26  1.0

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