data_[Si8Hg4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4454]
_cell_length_b [13.8658]
_cell_length_c [6.3789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si2HgTe6]
_chemical_formula_sum '[Si8 Hg4 Te24]'
_cell_volume [1344.4096]
_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
[
  Si  Si0  8  0.1970  0.4275  0.8440  1.0
  Hg  Hg1  4  0.0000  0.2675  0.7500  1.0
  Te  Te2  8  0.1216  0.4243  0.1624  1.0
  Te  Te3  8  0.1401  0.0249  0.0626  1.0
  Te  Te4  8  0.1697  0.2584  0.6897  1.0
]