data_[Ce12Pd4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8022]
_cell_length_b [3.6049]
_cell_length_c [6.7420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3PdRu]
_chemical_formula_sum '[Ce12 Pd4 Ru4]'
_cell_volume [432.4081]
_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
[
  Ce  Ce0  4  0.0879  0.0000  0.4261  1.0
  Ce  Ce1  4  0.0997  0.0000  0.9643  1.0
  Ce  Ce2  4  0.1927  0.5000  0.6266  1.0
  Ru  Ru3  4  0.0156  0.5000  0.7847  1.0
  Pd  Pd4  4  0.2119  0.5000  0.1382  1.0
]