data_[Tb4Nd6S16]
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 [13.9673]
_cell_length_b [8.1456]
_cell_length_c [6.8847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Nd3S8]
_chemical_formula_sum '[Tb4 Nd6 S16]'
_cell_volume [731.9133]
_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  0.2368  0.5000  0.6541  1
  Nd  Nd1  4  0.0000  0.2642  0.0000  1
  Nd  Nd2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.1287  0.2327  0.4181  1
  S  S4  4  0.1176  0.5000  0.8919  1
  S  S5  4  0.1204  0.0000  0.9382  1
]