data_MgCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.79
_cell_angle_alpha   102.09
_cell_angle_beta   102.09
_cell_angle_gamma   118.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdRu2
_chemical_formula_sum   'Mg1 Cd1 Ru2'
_cell_volume   64.95
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.76  0.0  0.0  1.0
  Ru  Ru2  1  0.81  0.3  0.28  1.0
  Ru  Ru3  1  0.81  0.7  0.28  1.0

data_MgCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.08
_cell_length_c   5.37
_cell_angle_alpha   116.43
_cell_angle_beta   102.09
_cell_angle_gamma   96.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdRu2
_chemical_formula_sum   'Mg1 Cd1 Ru2'
_cell_volume   64.95
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.76  1.0
  Ru  Ru2  1  0.58  0.3  0.12  1.0
  Ru  Ru3  1  0.97  0.7  0.51  1.0

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