data_[La12Pr4Cd4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  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 [16.0468]
_cell_length_b [7.7456]
_cell_length_c [6.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PrCdRu]
_chemical_formula_sum '[La12 Pr4 Cd4 Ru4]'
_cell_volume [742.9701]
_cell_formula_units_Z [4]
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  0.1194  0.2435  0.0912  1.0
  La  La1  4  0.1770  0.0000  0.6333  1.0
  Pr  Pr2  4  0.0000  0.3013  0.5000  1.0
  Cd  Cd3  4  0.1938  0.5000  0.7094  1.0
  Ru  Ru4  4  0.0031  0.0000  0.2409  1.0
]