data_[Al4Cd4Ga8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  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 [13.2418]
_cell_length_b [13.2903]
_cell_length_c [6.9684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlCd(GaSe3)2]
_chemical_formula_sum '[Al4 Cd4 Ga8 Se24]'
_cell_volume [1105.0006]
_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  0.1729  0.2500  1
  Cd  Cd1  4  0.0000  0.1768  0.7500  1
  Ga  Ga2  8  0.1855  0.4159  0.6894  1
  Se  Se3  8  0.1069  0.4419  0.9480  1
  Se  Se4  8  0.1113  0.0685  0.1217  1
  Se  Se5  8  0.1387  0.2387  0.5874  1
]