data_[Al8Hg4Ge4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2026]
_cell_length_b [13.5154]
_cell_length_c [6.4413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2HgGeS6]
_chemical_formula_sum '[Al8 Hg4 Ge4 S24]'
_cell_volume [1135.9960]
_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  8  0.0670  0.4178  0.1185  1.0
  Hg  Hg1  4  0.0000  0.0911  0.2500  1.0
  Ge  Ge2  4  0.0000  0.2016  0.7500  1.0
  S  S3  8  0.1037  0.1063  0.6442  1.0
  S  S4  8  0.1097  0.4325  0.5049  1.0
  S  S5  8  0.1252  0.2781  0.0401  1.0
]