data_[Pr4H16Ru4]
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/c]
_cell_length_a [5.1299]
_cell_length_b [9.6264]
_cell_length_c [5.5828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrH4Ru]
_chemical_formula_sum '[Pr4 H16 Ru4]'
_cell_volume [264.1793]
_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
[
  Pr  Pr0  4  0.0000  0.3596  0.7500  1
  H  H1  8  0.0090  0.1209  0.4640  1
  H  H2  8  0.1579  0.4246  0.1701  1
  Ru  Ru3  4  0.0000  0.0500  0.7500  1
]