data_[Ba2Sr4Al4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2277]
_cell_length_b [4.5598]
_cell_length_c [8.2005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSr2(AlSb2)2]
_chemical_formula_sum '[Ba2 Sr4 Al4 Sb8]'
_cell_volume [604.9413]
_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  0.0000  0.0000  0.0000  1.0
  Sr  Sr1  4  0.1265  0.0000  0.5478  1.0
  Al  Al2  4  0.1732  0.5000  0.9831  1.0
  Sb  Sb3  4  0.0271  0.5000  0.7106  1.0
  Sb  Sb4  4  0.2179  0.0000  0.2016  1.0
]