data_[Al4In8Hg4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  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 [13.1459]
_cell_length_b [13.4870]
_cell_length_c [6.8815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlIn2HgS6]
_chemical_formula_sum '[Al4 In8 Hg4 S24]'
_cell_volume [1089.9538]
_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
[
  Al  Al0  4  0.0000  0.1627  0.2500  1
  In  In1  8  0.1864  0.4120  0.6584  1
  Hg  Hg2  4  0.0000  0.1946  0.7500  1
  S  S3  8  0.1054  0.0770  0.1206  1
  S  S4  8  0.1069  0.4393  0.9260  1
  S  S5  8  0.1273  0.2331  0.5728  1
]