data_[Al4In8Bi4Se24]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5388]
_cell_length_b [13.9770]
_cell_length_c [7.1835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlIn2BiSe6]
_chemical_formula_sum '[Al4 In8 Bi4 Se24]'
_cell_volume [1364.4213]
_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  0.1668  0.7500  1.0
  In  In1  8  0.0750  0.4045  0.1084  1.0
  Bi  Bi2  4  0.0000  0.0830  0.2500  1.0
  Se  Se3  8  0.1188  0.0625  0.6809  1.0
  Se  Se4  8  0.1190  0.2329  0.0503  1.0
  Se  Se5  8  0.1233  0.4263  0.5056  1.0
]