data_[Tb8S4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7926]
_cell_length_b [4.1696]
_cell_length_c [11.9621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2SCl3]
_chemical_formula_sum '[Tb8 S4 Cl12]'
_cell_volume [664.8809]
_cell_formula_units_Z [4]
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  0.1021  0.5000  0.4483  1
  Tb  Tb1  4  0.1286  0.0000  0.8275  1
  S  S2  4  0.1085  0.5000  0.6817  1
  Cl  Cl3  4  0.0642  0.0000  0.2623  1
  Cl  Cl4  4  0.1631  0.5000  0.0145  1
  Cl  Cl5  4  0.2321  0.0000  0.5954  1
]