data_[Ba4Tl2Bi2Sb2]
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
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6813]
_cell_length_b [5.3879]
_cell_length_c [8.9125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2TlBiSb]
_chemical_formula_sum '[Ba4 Tl2 Bi2 Sb2]'
_cell_volume [416.7343]
_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  0.0059  0.2500  0.2332  1.0
  Ba  Ba1  2  0.4971  0.2500  0.1984  1.0
  Tl  Tl2  2  0.3390  0.7500  0.4239  1.0
  Bi  Bi3  2  0.2579  0.2500  0.5861  1.0
  Sb  Sb4  2  0.2385  0.7500  0.0965  1.0
]