data_[Al4In8Ga4S24]
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
  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 [11.6793]
_cell_length_b [15.8610]
_cell_length_c [6.0202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlIn2GaS6]
_chemical_formula_sum '[Al4 In8 Ga4 S24]'
_cell_volume [957.9365]
_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  0.1758  0.7500  1.0
  In  In1  8  0.1294  0.4160  0.0758  1.0
  Ga  Ga2  4  0.0000  0.1811  0.2500  1.0
  S  S3  8  0.1091  0.0932  0.6076  1.0
  S  S4  8  0.1306  0.4232  0.6482  1.0
  S  S5  8  0.1311  0.2489  0.1232  1.0
]