data_[Ba2Tl4Zn4Te8]
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
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8841]
_cell_length_b [4.4765]
_cell_length_c [8.7995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTl2(ZnTe2)2]
_chemical_formula_sum '[Ba2 Tl4 Zn4 Te8]'
_cell_volume [658.1283]
_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  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1209  0.0000  0.5592  1.0
  Zn  Zn2  4  0.1776  0.5000  0.9794  1.0
  Te  Te3  4  0.0359  0.5000  0.7355  1.0
  Te  Te4  4  0.2120  0.0000  0.1769  1.0
]