data_[Sn2Hg10S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [13.7065]
_cell_length_b [5.4535]
_cell_length_c [8.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(HgS)5]
_chemical_formula_sum '[Sn2 Hg10 S10]'
_cell_volume [551.5256]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.0000  1
  Hg  Hg1  4  0.1553  0.5000  0.8167  1
  Hg  Hg2  4  0.1740  0.5000  0.3245  1
  Hg  Hg3  2  0.0000  0.0000  0.5000  1
  S  S4  4  0.1404  0.0000  0.8041  1
  S  S5  4  0.1702  0.0000  0.3278  1
  S  S6  2  0.0000  0.5000  0.0000  1
]