data_ZnCd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   143.76
_cell_angle_beta   130.49
_cell_angle_gamma   62.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Ru
_chemical_formula_sum   'Zn1 Cd2 Ru1'
_cell_volume   69.67
_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
  Zn  Zn3  1  0.0  0.0  0.72  1.0
  Cd  Cd0  1  0.0  0.26  0.49  1.0
  Cd  Cd1  1  0.0  0.0  0.41  1.0
  Ru  Ru2  1  0.0  0.26  0.18  1.0

data_ZnCd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.52
_cell_length_c   5.39
_cell_angle_alpha   114.76
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCd2Ru
_chemical_formula_sum   'Zn1 Cd2 Ru1'
_cell_volume   69.67
_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
  Zn  Zn0  1  0.28  0.28  0.28  1.0
  Cd  Cd1  1  0.51  0.77  0.77  1.0
  Cd  Cd2  1  0.59  0.59  0.59  1.0
  Ru  Ru3  1  0.82  0.08  0.08  1.0

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