data_[Ce4Pa8Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.7567]
_cell_length_b [7.7497]
_cell_length_c [7.8594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ce(PaRu2)2]
_chemical_formula_sum '[Ce4 Pa8 Ru16]'
_cell_volume [570.4784]
_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  2  0.0000  0.0133  0.0000  1
  Ce  Ce1  2  0.0000  0.2619  0.5000  1
  Pa  Pa2  4  0.0930  0.6381  0.3187  1
  Pa  Pa3  4  0.2286  0.8382  0.7806  1
  Ru  Ru4  4  0.0404  0.3742  0.8558  1
  Ru  Ru5  4  0.0972  0.9457  0.4186  1
  Ru  Ru6  4  0.2142  0.5142  0.7366  1
  Ru  Ru7  4  0.2216  0.6623  0.0816  1
]