data_[Ba4Al4Sb8]
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
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.8488]
_cell_length_b [7.2062]
_cell_length_c [12.8500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [BaAlSb2]
_chemical_formula_sum '[Ba4 Al4 Sb8]'
_cell_volume [571.7049]
_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  0.3301  0.2575  0.8698  1.0
  Al  Al1  4  0.2030  0.0872  0.1109  1.0
  Sb  Sb2  4  0.1187  0.2758  0.5589  1.0
  Sb  Sb3  4  0.3796  0.2451  0.3245  1.0
]