data_[Al4In8Ga4Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2196]
_cell_length_b [16.7256]
_cell_length_c [6.2925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlIn2GaSe6]
_chemical_formula_sum '[Al4 In8 Ga4 Se24]'
_cell_volume [1108.4140]
_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  0.1756  0.7500  1.0
  In  In1  8  0.1256  0.4164  0.0695  1.0
  Ga  Ga2  4  0.0000  0.1812  0.2500  1.0
  Se  Se3  8  0.1105  0.0900  0.6065  1.0
  Se  Se4  8  0.1336  0.4225  0.6459  1.0
  Se  Se5  8  0.1369  0.2493  0.1281  1.0
]