data_[H1Ru1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0835]
_cell_length_b [5.0950]
_cell_length_c [5.1693]
_cell_angle_alpha [92.9565]
_cell_angle_beta [113.4553]
_cell_angle_gamma [117.0196]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HRuF6]
_chemical_formula_sum '[H1 Ru1 F6]'
_cell_volume [104.9007]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  H  H1  1  0.5000  0.0000  0.5000  1.0
  F  F2  2  0.1014  0.3610  0.2331  1.0
  F  F3  2  0.1982  0.2262  0.7875  1.0
  F  F4  2  0.4387  0.0600  0.2794  1.0
]