data_[Sr16Si8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.0290]
_cell_length_b [9.7869]
_cell_length_c [16.8851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sr2SiHg3]
_chemical_formula_sum '[Sr16 Si8 Hg24]'
_cell_volume [1326.8223]
_cell_formula_units_Z [8]
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  8  0.2408  0.0000  0.0000  1
  Sr  Sr1  8  0.2500  0.2500  0.2500  1
  Si  Si2  8  0.0000  0.0000  0.3353  1
  Hg  Hg3  16  0.0000  0.2379  0.4135  1
  Hg  Hg4  8  0.0000  0.0000  0.1735  1
]