data_[Ce4Pr6Ru8]
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/m]
_cell_length_a [11.2406]
_cell_length_b [4.2902]
_cell_length_c [9.1547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Pr3Ru4]
_chemical_formula_sum '[Ce4 Pr6 Ru8]'
_cell_volume [433.1524]
_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
[
  Ce  Ce0  4  0.1750  0.5000  0.7840  1
  Pr  Pr1  4  0.1230  0.5000  0.3868  1
  Pr  Pr2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  4  0.0915  0.0000  0.6327  1
  Ru  Ru4  4  0.2172  0.5000  0.0975  1
]