data_MgCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   146.52
_cell_angle_beta   129.02
_cell_angle_gamma   62.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdRu2
_chemical_formula_sum   'Mg1 Cd1 Ru2'
_cell_volume   64.29
_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  0.0  0.0  0.56  1.0
  Ru  Ru2  1  0.0  0.29  0.33  1.0
  Ru  Ru3  1  0.54  0.0  0.23  1.0

data_MgCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.59
_cell_length_c   5.33
_cell_angle_alpha   115.49
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdRu2
_chemical_formula_sum   'Mg1 Cd1 Ru2'
_cell_volume   64.29
_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  0.44  0.44  0.44  1.0
  Ru  Ru2  1  0.3  0.77  0.3  1.0
  Ru  Ru3  1  0.67  0.97  0.97  1.0

Mg Cd Ru Ru