data_[Ba2Tl4Ga2Sb4]
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
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7770]
_cell_length_b [9.9729]
_cell_length_c [8.3472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BaTl2GaSb2]
_chemical_formula_sum '[Ba2 Tl4 Ga2 Sb4]'
_cell_volume [397.6633]
_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  0.4081  0.0054  1.0
  Tl  Tl1  2  0.0000  0.1643  0.3300  1.0
  Tl  Tl2  2  0.5000  0.0525  0.0419  1.0
  Ga  Ga3  2  0.5000  0.3292  0.6544  1.0
  Sb  Sb4  2  0.0000  0.1727  0.7010  1.0
  Sb  Sb5  2  0.5000  0.3979  0.3128  1.0
]