data_[Tb2Ce6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8417]
_cell_length_b [7.4492]
_cell_length_c [12.2414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb(CeS2)3]
_chemical_formula_sum '[Tb2 Ce6 S12]'
_cell_volume [519.1597]
_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  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  4  0.2118  0.0930  0.7503  1.0
  Ce  Ce2  2  0.5000  0.0000  0.5000  1.0
  S  S3  4  0.0959  0.1889  0.4202  1.0
  S  S4  4  0.2396  0.6844  0.4215  1.0
  S  S5  4  0.4016  0.0659  0.2462  1.0
]