data_[H4Ru12W4]
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/m]
_cell_length_a [8.9130]
_cell_length_b [5.6101]
_cell_length_c [4.8157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HRu3W]
_chemical_formula_sum '[H4 Ru12 W4]'
_cell_volume [240.7947]
_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
[
  Ru  Ru0  8  0.1251  0.2488  0.3325  1.0
  H  H1  4  0.0000  0.2423  0.0000  1.0
  Ru  Ru2  4  0.1319  0.0000  0.8258  1.0
  W  W3  4  0.1384  0.5000  0.8200  1.0
]