data_[Ce8Pr12Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8872]
_cell_length_b [9.9749]
_cell_length_c [6.1439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2Pr3Ru4]
_chemical_formula_sum '[Ce8 Pr12 Ru16]'
_cell_volume [893.3721]
_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  8  0.1907  0.4014  0.9714  1.0
  Pr  Pr1  8  0.1014  0.1069  0.6125  1.0
  Pr  Pr2  4  0.0000  0.3693  0.2500  1.0
  Ru  Ru3  8  0.1358  0.1898  0.1238  1.0
  Ru  Ru4  8  0.2033  0.3627  0.4944  1.0
]