data_[Ag2Sn2Hg4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.4904]
_cell_length_b [7.4295]
_cell_length_c [6.8490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AgSn(HgS2)2]
_chemical_formula_sum '[Ag2 Sn2 Hg4 S8]'
_cell_volume [432.0319]
_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
[
  Ag  Ag0  2  0.0000  0.8439  0.4964  1.0
  Sn  Sn1  2  0.0000  0.1699  0.9945  1.0
  Hg  Hg2  4  0.2479  0.6642  0.9978  1.0
  S  S3  4  0.2456  0.6694  0.3828  1.0
  S  S4  2  0.0000  0.1684  0.3719  1.0
  S  S5  2  0.0000  0.8384  0.8760  1.0
]