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 [8.8730]
_cell_length_b [5.5869]
_cell_length_c [4.8602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HRu3W]
_chemical_formula_sum '[H4 Ru12 W4]'
_cell_volume [240.9281]
_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  0.0280  0.2518  0.3229  1.0
  Ru  Ru1  4  0.2798  0.2524  0.6811  1.0
  Ru  Ru2  2  0.0327  0.5000  0.8435  1.0
  H  H3  2  0.1455  0.0000  0.4819  1.0
  Ru  Ru4  2  0.2772  0.0000  0.1566  1.0
  H  H5  2  0.4112  0.0000  0.5013  1.0
  W  W6  2  0.0321  0.0000  0.8439  1.0
  W  W7  2  0.2697  0.5000  0.1703  1.0
]