data_[Ba8Tl4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2860]
_cell_length_b [5.1164]
_cell_length_c [12.2501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2TlSb2]
_chemical_formula_sum '[Ba8 Tl4 Sb8]'
_cell_volume [764.8729]
_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  0.0749  0.0000  0.3704  1.0
  Ba  Ba1  4  0.1681  0.0000  0.0618  1.0
  Tl  Tl2  4  0.2233  0.0000  0.7509  1.0
  Sb  Sb3  4  0.0086  0.5000  0.8820  1.0
  Sb  Sb4  4  0.1500  0.5000  0.6012  1.0
]