data_[Ba6Tl8In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6529]
_cell_length_b [5.3836]
_cell_length_c [10.1893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(Tl2In)2]
_chemical_formula_sum '[Ba6 Tl8 In4]'
_cell_volume [651.8852]
_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  4  0.1444  0.5000  0.6800  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1001  0.0000  0.4285  1.0
  Tl  Tl3  4  0.1980  0.5000  0.0369  1.0
  In  In4  4  0.1541  0.5000  0.3140  1.0
]