data_[Tl8Ge4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.6295]
_cell_length_b [8.9821]
_cell_length_c [8.4996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2GeTe2]
_chemical_formula_sum '[Tl8 Ge4 Te8]'
_cell_volume [727.6170]
_cell_formula_units_Z [4]
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
[
  Tl  Tl0  4  0.0876  0.2484  0.0299  1.0
  Tl  Tl1  4  0.3333  0.7024  0.9953  1.0
  Ge  Ge2  4  0.3539  0.1094  0.8730  1.0
  Te  Te3  4  0.1195  0.5702  0.2568  1.0
  Te  Te4  4  0.4118  0.0444  0.1983  1.0
]