data_[K4Tl2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  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 [7.6355]
_cell_length_b [7.6355]
_cell_length_c [8.3901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [K2TlGeS4]
_chemical_formula_sum '[K4 Tl2 Ge2 S8]'
_cell_volume [489.1500]
_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
[
  K  K0  2  0.0000  0.0000  0.0000  1.0
  K  K1  2  0.0000  0.5000  0.2500  1.0
  Tl  Tl2  2  0.0000  0.5000  0.7500  1.0
  Ge  Ge3  2  0.0000  0.0000  0.5000  1.0
  S  S4  8  0.1607  0.8112  0.6434  1.0
]