data_[Ba2Al2Sb2Se8]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3601]
_cell_length_b [7.1263]
_cell_length_c [8.8977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaAlSbSe4]
_chemical_formula_sum '[Ba2 Al2 Sb2 Se8]'
_cell_volume [443.8962]
_cell_formula_units_Z [2]
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  2  0.2628  0.7500  0.0470  1.0
  Al  Al1  2  0.2587  0.2500  0.3155  1.0
  Sb  Sb2  2  0.2297  0.7500  0.4916  1.0
  Se  Se3  4  0.0335  0.5057  0.2743  1.0
  Se  Se4  2  0.4107  0.2500  0.1211  1.0
  Se  Se5  2  0.4532  0.2500  0.5894  1.0
]