data_[Tb6Ge2Te2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4965]
_cell_length_b [4.3586]
_cell_length_c [9.5606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3GeTeS]
_chemical_formula_sum '[Tb6 Ge2 Te2 S2]'
_cell_volume [349.1151]
_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  0.1191  0.7500  0.8644  1
  Tb  Tb1  2  0.2358  0.2500  0.5313  1
  Tb  Tb2  2  0.4253  0.2500  0.1471  1
  Ge  Ge3  2  0.3437  0.2500  0.8443  1
  Te  Te4  2  0.1703  0.7500  0.2037  1
  S  S5  2  0.0901  0.7500  0.5899  1
]