data_[Ba1Hg1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5143]
_cell_length_b [4.5166]
_cell_length_c [9.1359]
_cell_angle_alpha [91.9529]
_cell_angle_beta [95.2861]
_cell_angle_gamma [110.0612]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaHgH2F8]
_chemical_formula_sum '[Ba1 Hg1 H2 F8]'
_cell_volume [173.7998]
_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
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4853  0.5008  0.7835  1.0
  F  F3  2  0.2272  0.2141  0.2076  1.0
  F  F4  2  0.2727  0.7290  0.0031  1.0
  F  F5  2  0.2886  0.3123  0.7693  1.0
  F  F6  2  0.3443  0.6554  0.4927  1.0
]