data_[Al8In4Sn4Se24]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0070]
_cell_length_b [12.2361]
_cell_length_c [6.8489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2InSnSe6]
_chemical_formula_sum '[Al8 In4 Sn4 Se24]'
_cell_volume [1063.0448]
_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  8  0.1876  0.4139  0.2959  1.0
  In  In1  4  0.0000  0.2765  0.7500  1.0
  Sn  Sn2  4  0.0000  0.1034  0.2500  1.0
  Se  Se3  8  0.1198  0.0911  0.6467  1.0
  Se  Se4  8  0.1357  0.2479  0.1115  1.0
  Se  Se5  8  0.1373  0.4204  0.6139  1.0
]