data_[Ba1Li1Hg2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4120]
_cell_length_b [5.5181]
_cell_length_c [8.2370]
_cell_angle_alpha [88.9272]
_cell_angle_beta [88.0181]
_cell_angle_gamma [87.5308]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLiHg2F8]
_chemical_formula_sum '[Ba1 Li1 Hg2 F8]'
_cell_volume [200.2014]
_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
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4616  0.5293  0.7833  1.0
  F  F3  2  0.0948  0.8130  0.8065  1.0
  F  F4  2  0.1153  0.6805  0.2664  1.0
  F  F5  2  0.3670  0.2581  0.9717  1.0
  F  F6  2  0.4744  0.2586  0.4439  1.0
]