data_[Tb8Y6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0700]
_cell_length_b [11.0768]
_cell_length_c [7.8268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4Y3S8]
_chemical_formula_sum '[Tb8 Y6 S16]'
_cell_volume [678.9353]
_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  0.0000  0.0000  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  4  0.2500  0.2500  0.0000  1.0
  Y  Y4  2  0.0000  0.0000  0.5000  1.0
  S  S5  4  0.0000  0.2497  0.5000  1.0
  S  S6  4  0.0000  0.2507  0.0000  1.0
  S  S7  4  0.2495  0.5000  0.0006  1.0
  S  S8  4  0.2496  0.5000  0.4985  1.0
]