data_[Ag2Hg3S4]
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 [P1]
_cell_length_a [4.5100]
_cell_length_b [6.8275]
_cell_length_c [21.1767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [92.1421]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2Hg3S4]
_chemical_formula_sum '[Ag2 Hg3 S4]'
_cell_volume [651.6213]
_cell_formula_units_Z [1]
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  1  0.0484  0.5871  0.3811  1
  Ag  Ag1  1  0.5434  0.3467  0.4211  1
  Hg  Hg2  1  0.0364  0.2887  0.5564  1
  Hg  Hg3  1  0.5379  0.8562  0.4699  1
  Hg  Hg4  1  0.7724  0.6959  0.6223  1
  S  S5  1  0.0372  0.1933  0.4473  1
  S  S6  1  0.0665  0.4390  0.6578  1
  S  S7  1  0.5082  0.9582  0.5780  1
  S  S8  1  0.5554  0.7176  0.3661  1
]