data_[Tb12P6S4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  P  2.1900  1.0000  0.5500
  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 [17.4997]
_cell_length_b [3.9884]
_cell_length_c [8.0081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6P3S2Cl]
_chemical_formula_sum '[Tb12 P6 S4 Cl2]'
_cell_volume [542.8989]
_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  0.0013  0.0000  0.7278  1.0
  Tb  Tb1  4  0.1659  0.5000  0.5894  1.0
  Tb  Tb2  4  0.1765  0.5000  0.0827  1.0
  P  P3  4  0.1632  0.0000  0.8340  1.0
  P  P4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.1653  0.0000  0.3300  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]