data_[Tb8Nd6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2898]
_cell_length_b [11.2885]
_cell_length_c [7.9688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4Nd3S8]
_chemical_formula_sum '[Tb8 Nd6 S16]'
_cell_volume [720.4838]
_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  0.0000  1.0
  Tb  Tb1  2  0.0000  0.0000  0.0000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.5000  1.0
  Nd  Nd3  4  0.2500  0.2500  0.5000  1.0
  Nd  Nd4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.0000  0.2459  0.5000  1.0
  S  S6  4  0.0000  0.2463  0.0000  1.0
  S  S7  4  0.2419  0.0000  0.4921  1.0
  S  S8  4  0.2431  0.0000  0.9919  1.0
]