data_[Sr1Li2Hg1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [4.0326]
_cell_length_b [5.4745]
_cell_length_c [8.1664]
_cell_angle_alpha [80.0976]
_cell_angle_beta [81.3835]
_cell_angle_gamma [89.7889]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrLi2HgF8]
_chemical_formula_sum '[Sr1 Li2 Hg1 F8]'
_cell_volume [175.5492]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.4540  0.4150  0.6650  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0164  0.7835  0.8238  1.0
  F  F4  2  0.0661  0.6823  0.3028  1.0
  F  F5  2  0.4362  0.1760  0.8766  1.0
  F  F6  2  0.4965  0.7356  0.5387  1.0
]