data_[Ce12Pr4Ru8]
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 [16.4037]
_cell_length_b [4.7687]
_cell_length_c [8.3878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3PrRu2]
_chemical_formula_sum '[Ce12 Pr4 Ru8]'
_cell_volume [582.6130]
_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  0.0658  0.0000  0.4354  1.0
  Ce  Ce1  4  0.1227  0.5000  0.6992  1.0
  Ce  Ce2  4  0.1960  0.5000  0.3192  1.0
  Pr  Pr3  4  0.1039  0.0000  0.0168  1.0
  Ru  Ru4  4  0.0291  0.5000  0.2085  1.0
  Ru  Ru5  4  0.2364  0.0000  0.8757  1.0
]