data_[Gd24Si18S72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [19.0017]
_cell_length_b [19.0017]
_cell_length_c [7.7770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Gd4(SiS4)3]
_chemical_formula_sum '[Gd24 Si18 S72]'
_cell_volume [2431.7873]
_cell_formula_units_Z [6]
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
[
  Gd  Gd0  18  0.0063  0.2348  0.2091  1
  Gd  Gd1  6  0.0000  0.0000  0.4920  1
  Si  Si2  18  0.1474  0.4678  0.3214  1
  S  S3  18  0.0653  0.3969  0.5210  1
  S  S4  18  0.0865  0.2028  0.5018  1
  S  S5  18  0.1244  0.0611  0.2410  1
  S  S6  18  0.1513  0.7713  0.6594  1
]