data_[Ba1H2Ru1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [5.0187]
_cell_length_b [5.0628]
_cell_length_c [7.5295]
_cell_angle_alpha [98.4677]
_cell_angle_beta [92.9772]
_cell_angle_gamma [110.4140]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaH2RuF8]
_chemical_formula_sum '[Ba1 H2 Ru1 F8]'
_cell_volume [176.2407]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  H  H1  2  0.4553  0.6921  0.6954  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.2093  0.7566  0.9819  1.0
  F  F4  2  0.2362  0.2071  0.8242  1.0
  F  F5  2  0.2649  0.2372  0.2243  1.0
  F  F6  2  0.3024  0.6518  0.5908  1.0
]