data_[Ba2Tl4Sb2]
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 [P2_1/m]
_cell_length_a [7.3342]
_cell_length_b [5.1385]
_cell_length_c [7.7904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTl2Sb]
_chemical_formula_sum '[Ba2 Tl4 Sb2]'
_cell_volume [285.6619]
_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  0.2253  0.2500  0.3976  1.0
  Tl  Tl1  2  0.1132  0.2500  0.8782  1.0
  Tl  Tl2  2  0.3905  0.7500  0.1292  1.0
  Sb  Sb3  2  0.2944  0.7500  0.7162  1.0
]