data_[Ce2Pr2Ru3]
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 [P-1]
_cell_length_a [4.4177]
_cell_length_b [5.9204]
_cell_length_c [7.4244]
_cell_angle_alpha [96.6378]
_cell_angle_beta [94.9498]
_cell_angle_gamma [107.6088]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce2Pr2Ru3]
_chemical_formula_sum '[Ce2 Pr2 Ru3]'
_cell_volume [182.3317]
_cell_formula_units_Z [1]
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  2  0.3763  0.7337  0.0929  1.0
  Pr  Pr1  2  0.1529  0.2570  0.3641  1.0
  Ru  Ru2  2  0.1977  0.3737  0.7584  1.0
  Ru  Ru3  1  0.0000  0.0000  0.0000  1.0
]