data_CrCd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.91
_cell_angle_alpha   107.46
_cell_angle_beta   107.46
_cell_angle_gamma   33.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Ru
_chemical_formula_sum   'Cr1 Cd2 Ru1'
_cell_volume   67.89
_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
  Cr  Cr2  1  0.88  0.0  0.18  1.0
  Cd  Cd0  1  0.1  0.0  0.03  1.0
  Cd  Cd1  1  0.16  0.0  0.46  1.0
  Ru  Ru3  1  0.21  0.0  0.33  1.0

data_CrCd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.91
_cell_length_c   5.11
_cell_angle_alpha   107.46
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2Ru
_chemical_formula_sum   'Cr1 Cd2 Ru1'
_cell_volume   67.89
_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
  Cr  Cr0  1  0.0  0.18  0.88  1.0
  Cd  Cd1  1  0.0  0.03  0.1  1.0
  Cd  Cd2  1  0.0  0.46  0.16  1.0
  Ru  Ru3  1  0.0  0.33  0.21  1.0

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