data_YCd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Ru
_chemical_formula_sum   'Y1 Cd2 Ru1'
_cell_volume   88.93
_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
  Y  Y3  1  0.0  0.0  0.56  1.0
  Cd  Cd0  1  0.18  0.0  0.35  1.0
  Cd  Cd1  1  0.0  0.0  0.95  1.0
  Ru  Ru2  1  0.18  0.0  0.28  1.0

data_YCd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Ru
_chemical_formula_sum   'Y1 Cd2 Ru1'
_cell_volume   88.93
_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
  Y  Y0  1  0.0  0.0  0.56  1.0
  Cd  Cd1  1  0.0  0.0  0.95  1.0
  Cd  Cd2  1  0.18  0.0  0.35  1.0
  Ru  Ru3  1  0.18  0.0  0.28  1.0

Y Cd Cd Ru
Y Cd Cd Ru 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o - 2 2 o + o 2 2 + o o 2 3 o o + 