data_[H8Ru24W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9322]
_cell_length_b [11.1864]
_cell_length_c [4.8191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HRu3W]
_chemical_formula_sum '[H8 Ru24 W8]'
_cell_volume [481.5227]
_cell_formula_units_Z [8]
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
[
  Ru  Ru0  8  0.1258  0.3138  0.4152  1.0
  Ru  Ru1  8  0.1266  0.1902  0.9133  1.0
  Ru  Ru2  8  0.1333  0.0634  0.4183  1.0
  H  H3  4  0.0000  0.0606  0.7500  1.0
  H  H4  4  0.0000  0.1871  0.2500  1.0
  W  W5  8  0.1322  0.4334  0.9242  1.0
]