data_[Hg4Sb8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7545]
_cell_length_b [3.9897]
_cell_length_c [14.1907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(SbS2)2]
_chemical_formula_sum '[Hg4 Sb8 S16]'
_cell_volume [734.4731]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  2  0.0000  0.0000  0.0000  1
  Hg  Hg1  2  0.0000  0.0000  0.5000  1
  Sb  Sb2  4  0.1526  0.5000  0.8710  1
  Sb  Sb3  4  0.2298  0.0000  0.3738  1
  S  S4  4  0.0097  0.0000  0.8364  1
  S  S5  4  0.1357  0.5000  0.4334  1
  S  S6  4  0.1591  0.0000  0.6631  1
  S  S7  4  0.1963  0.5000  0.0635  1
]