data_[Ba8Tl2Te10]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9430]
_cell_length_b [4.9430]
_cell_length_c [35.3921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba4TlTe5]
_chemical_formula_sum '[Ba8 Tl2 Te10]'
_cell_volume [864.7395]
_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  0.0000  0.0000  0.1996  1
  Ba  Ba1  4  0.0000  0.0000  0.4012  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.0000  0.0996  1
  Te  Te4  4  0.0000  0.0000  0.3000  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
]