data_[La16Cd6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7071]
_cell_length_b [7.7284]
_cell_length_c [5.6510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Cd3Ru2]
_chemical_formula_sum '[La16 Cd6 Ru4]'
_cell_volume [773.2978]
_cell_formula_units_Z [2]
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
[
  La  La0  8  0.1700  0.2611  0.7405  1
  La  La1  4  0.0740  0.5000  0.2710  1
  La  La2  4  0.1692  0.0000  0.2287  1
  Cd  Cd3  4  0.0000  0.1783  0.0000  1
  Cd  Cd4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  4  0.2169  0.5000  0.2577  1
]