data_[Ag2Hg6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  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 [8.3482]
_cell_length_b [7.2351]
_cell_length_c [6.9012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AgHg3S4]
_chemical_formula_sum '[Ag2 Hg6 S8]'
_cell_volume [416.8323]
_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  0.6659  0.0011  1.0
  Hg  Hg1  4  0.2496  0.8329  0.5000  1.0
  Hg  Hg2  2  0.0000  0.3327  0.5008  1.0
  S  S3  4  0.2450  0.8305  0.1259  1.0
  S  S4  2  0.0000  0.3393  0.1263  1.0
  S  S5  2  0.0000  0.6665  0.6355  1.0
]