data_[Al12In3Cu3S24]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.1720]
_cell_length_b [7.1720]
_cell_length_c [17.8011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Al4InCuS8]
_chemical_formula_sum '[Al12 In3 Cu3 S24]'
_cell_volume [792.9718]
_cell_formula_units_Z [3]
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  9  0.1764  0.3527  0.8314  1.0
  Al  Al1  3  0.0000  0.0000  0.6249  1.0
  In  In2  3  0.0000  0.0000  0.0050  1.0
  Cu  Cu3  3  0.0000  0.0000  0.3740  1.0
  S  S4  9  0.0077  0.5038  0.7583  1.0
  S  S5  9  0.1727  0.8273  0.5754  1.0
  S  S6  3  0.0000  0.0000  0.2434  1.0
  S  S7  3  0.0000  0.0000  0.7575  1.0
]