data_[Al2In2Au4S8]
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
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.7546]
_cell_length_b [5.7546]
_cell_length_c [11.1288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [AlIn(AuS2)2]
_chemical_formula_sum '[Al2 In2 Au4 S8]'
_cell_volume [368.5327]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.7500  1
  In  In1  2  0.0000  0.0000  0.5000  1
  Au  Au2  2  0.0000  0.0000  0.0000  1
  Au  Au3  2  0.0000  0.5000  0.2500  1
  S  S4  8  0.2297  0.2675  0.6331  1
]