data_[Pr2H16Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4083]
_cell_length_b [8.8495]
_cell_length_c [3.6316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(H4Ru)2]
_chemical_formula_sum '[Pr2 H16 Ru4]'
_cell_volume [173.7606]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.5000  1.0
  H  H1  8  0.1768  0.1504  0.0097  1.0
  H  H2  4  0.0000  0.2967  0.5000  1.0
  Ru  Ru3  4  0.0000  0.3262  0.0000  1.0
  H  H4  4  0.0586  0.5000  0.2370  1.0
]