data_[Sr4Hg4F20]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9625]
_cell_length_b [6.8780]
_cell_length_c [8.6006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrHgF5]
_chemical_formula_sum '[Sr4 Hg4 F20]'
_cell_volume [503.4110]
_cell_formula_units_Z [4]
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  4  0.0000  0.4725  0.2500  1.0
  Hg  Hg1  4  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0655  0.3163  0.9957  1.0
  F  F3  8  0.2193  0.1101  0.6358  1.0
  F  F4  4  0.0000  0.1158  0.2500  1.0
]