data_[Sr1Hg1H2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [4.2194]
_cell_length_b [4.6044]
_cell_length_c [8.9240]
_cell_angle_alpha [94.6700]
_cell_angle_beta [94.8274]
_cell_angle_gamma [109.0410]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrHgH2F8]
_chemical_formula_sum '[Sr1 Hg1 H2 F8]'
_cell_volume [162.2151]
_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
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4699  0.5087  0.7656  1.0
  F  F3  2  0.2041  0.2242  0.2173  1.0
  F  F4  2  0.2524  0.3373  0.7532  1.0
  F  F5  2  0.2933  0.7347  0.0267  1.0
  F  F6  2  0.3935  0.7129  0.5049  1.0
]