data_[Tl4Cu2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.0414]
_cell_length_b [7.0414]
_cell_length_c [7.9292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tl2CuGeS4]
_chemical_formula_sum '[Tl4 Cu2 Ge2 S8]'
_cell_volume [393.1390]
_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
[
  Tl  Tl0  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  2  0.0000  0.5000  0.7500  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Ge  Ge3  2  0.0000  0.5000  0.2500  1
  S  S4  8  0.1477  0.7317  0.1028  1
]