data_[Sr4Sn8Hg4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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/c]
_cell_length_a [13.6013]
_cell_length_b [12.8489]
_cell_length_c [7.2264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrSn2HgS6]
_chemical_formula_sum '[Sr4 Sn8 Hg4 S24]'
_cell_volume [1180.9449]
_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
[
  Sr  Sr0  4  0.0000  0.1153  0.2500  1.0
  Sn  Sn1  8  0.1981  0.4279  0.2152  1.0
  Hg  Hg2  4  0.0000  0.2664  0.7500  1.0
  S  S3  8  0.1154  0.0722  0.6717  1.0
  S  S4  8  0.1213  0.4331  0.4780  1.0
  S  S5  8  0.1304  0.2566  0.0790  1.0
]