data_[Sc4Al4Ga8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.8398]
_cell_length_b [11.0608]
_cell_length_c [6.3589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ScAl(GaS3)2]
_chemical_formula_sum '[Sc4 Al4 Ga8 S24]'
_cell_volume [818.9292]
_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
[
  Sc  Sc0  4  0.0000  0.0938  0.2500  1.0
  Al  Al1  4  0.0000  0.2664  0.7500  1.0
  Ga  Ga2  8  0.1805  0.4098  0.2945  1.0
  S  S3  8  0.1156  0.0945  0.6378  1.0
  S  S4  8  0.1202  0.2456  0.0912  1.0
  S  S5  8  0.1311  0.4097  0.6280  1.0
]