data_[Ge24S48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.8174]
_cell_length_b [22.9005]
_cell_length_c [7.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [GeS2]
_chemical_formula_sum '[Ge24 S48]'
_cell_volume [1988.6538]
_cell_formula_units_Z [24]
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
[
  Ge  Ge0  16  0.1215  0.1129  0.2518  1.0
  Ge  Ge1  8  0.0000  0.0000  0.9950  1.0
  S  S2  16  0.0478  0.4266  0.3061  1.0
  S  S3  16  0.0647  0.3710  0.7899  1.0
  S  S4  16  0.0921  0.2724  0.4010  1.0
]