data_[Ag4Sn2Hg2S8]
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 [8.2270]
_cell_length_b [7.2549]
_cell_length_c [6.8837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ag2SnHgS4]
_chemical_formula_sum '[Ag4 Sn2 Hg2 S8]'
_cell_volume [410.8585]
_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  4  0.2469  0.8270  0.5151  1.0
  Sn  Sn1  2  0.0000  0.6687  0.9984  1.0
  Hg  Hg2  2  0.0000  0.3503  0.5121  1.0
  S  S3  4  0.2418  0.8350  0.8854  1.0
  S  S4  2  0.0000  0.3488  0.8864  1.0
  S  S5  2  0.0000  0.6745  0.3546  1.0
]