data_[Tl4Ge4Te16]
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 [C2/c]
_cell_length_a [16.5030]
_cell_length_b [7.2991]
_cell_length_c [7.4744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlGeTe4]
_chemical_formula_sum '[Tl4 Ge4 Te16]'
_cell_volume [843.6105]
_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  0.0000  0.2525  0.7500  1.0
  Ge  Ge1  4  0.2500  0.2500  0.5000  1.0
  Te  Te2  8  0.0771  0.3116  0.2135  1.0
  Te  Te3  8  0.2103  0.1306  0.8459  1.0
]