data_[Si2Ag4Hg2Te4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.3120]
_cell_length_b [6.0186]
_cell_length_c [5.9946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SiAg2Hg(TeS)2]
_chemical_formula_sum '[Si2 Ag4 Hg2 Te4 S4]'
_cell_volume [434.7844]
_cell_formula_units_Z [2]
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  2  0.0000  0.5353  0.5000  1
  Ag  Ag1  4  0.2470  0.4688  0.3125  1
  Hg  Hg2  2  0.0000  0.0277  0.0000  1
  Te  Te3  4  0.1351  0.2802  0.8388  1
  S  S4  4  0.1039  0.7195  0.3734  1
]