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 [Cm]
_cell_length_a [8.8548]
_cell_length_b [5.5696]
_cell_length_c [4.8490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HRu3W]
_chemical_formula_sum '[H4 Ru12 W4]'
_cell_volume [239.1424]
_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  4  0.0792  0.2482  0.3229  1
  Ru  Ru1  4  0.3310  0.2477  0.6811  1
  Ru  Ru2  2  0.0838  0.0000  0.8436  1
  H  H3  2  0.1967  0.5000  0.4820  1
  Ru  Ru4  2  0.3286  0.5000  0.1565  1
  H  H5  2  0.4624  0.5000  0.5013  1
  W  W6  2  0.0833  0.5000  0.8443  1
  W  W7  2  0.3211  0.0000  0.1698  1
]