data_[Tb6Tm8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9575]
_cell_length_b [10.9621]
_cell_length_c [7.7402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3(TmS2)4]
_chemical_formula_sum '[Tb6 Tm8 S16]'
_cell_volume [658.6187]
_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  0.2500  0.2500  0.5000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.2500  0.2500  0.0000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm4  2  0.0000  0.0000  0.5000  1.0
  S  S5  4  0.0000  0.2475  0.5000  1.0
  S  S6  4  0.0000  0.2490  0.0000  1.0
  S  S7  4  0.2462  0.0000  0.4974  1.0
  S  S8  4  0.2468  0.0000  0.9950  1.0
]