data_[Tb2Tl2Au6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8801]
_cell_length_b [7.3058]
_cell_length_c [10.7399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbTlAu3S4]
_chemical_formula_sum '[Tb2 Tl2 Au6 S8]'
_cell_volume [449.2116]
_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
[
  Tb  Tb0  2  0.1218  0.2500  0.3045  1
  Tl  Tl1  2  0.2288  0.2500  0.8918  1
  Au  Au2  4  0.3035  0.5585  0.5600  1
  Au  Au3  2  0.4415  0.7500  0.8294  1
  S  S4  4  0.3858  0.5232  0.2619  1
  S  S5  2  0.0337  0.2500  0.5518  1
  S  S6  2  0.1305  0.7500  0.9328  1
]