data_[Tb12Au4Se6S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3599]
_cell_length_b [4.0135]
_cell_length_c [8.4135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Au2Se3S]
_chemical_formula_sum '[Tb12 Au4 Se6 S2]'
_cell_volume [590.7982]
_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  4  0.0053  0.0000  0.2405  1
  Tb  Tb1  4  0.1599  0.5000  0.6033  1
  Tb  Tb2  4  0.1647  0.5000  0.1041  1
  Au  Au3  4  0.1775  0.0000  0.3658  1
  Se  Se4  4  0.1619  0.0000  0.8534  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  S  S6  2  0.0000  0.5000  0.0000  1
]