data_[Ba4Al4Ga8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  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 [14.0765]
_cell_length_b [12.6816]
_cell_length_c [8.1177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaAl(GaSe3)2]
_chemical_formula_sum '[Ba4 Al4 Ga8 Se24]'
_cell_volume [1246.3324]
_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
[
  Ba  Ba0  4  0.0000  0.1697  0.2500  1
  Al  Al1  4  0.0000  0.1693  0.7500  1
  Ga  Ga2  8  0.1874  0.4268  0.1048  1
  Se  Se3  8  0.1142  0.0527  0.6780  1
  Se  Se4  8  0.1231  0.4396  0.3532  1
  Se  Se5  8  0.1355  0.2438  0.0494  1
]