data_[Ba6Tl4Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5182]
_cell_length_b [4.9696]
_cell_length_c [9.9963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(TlSn2)2]
_chemical_formula_sum '[Ba6 Tl4 Sn8]'
_cell_volume [665.4491]
_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  0.1595  0.5000  0.6716  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1542  0.5000  0.3238  1.0
  Sn  Sn3  4  0.0337  0.0000  0.3670  1.0
  Sn  Sn4  4  0.1949  0.5000  0.0306  1.0
]