data_[Ac2Tb6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2127]
_cell_length_b [4.0798]
_cell_length_c [11.5160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac(TbS2)3]
_chemical_formula_sum '[Ac2 Tb6 S12]'
_cell_volume [498.7323]
_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
[
  Ac  Ac0  2  0.0541  0.2500  0.1971  1
  Tb  Tb1  2  0.1617  0.2500  0.5897  1
  Tb  Tb2  2  0.3226  0.7500  0.9989  1
  Tb  Tb3  2  0.4507  0.2500  0.3336  1
  S  S4  2  0.0829  0.7500  0.4105  1
  S  S5  2  0.1245  0.2500  0.9629  1
  S  S6  2  0.2002  0.7500  0.7480  1
  S  S7  2  0.2758  0.7500  0.2314  1
  S  S8  2  0.3915  0.2500  0.5529  1
  S  S9  2  0.4783  0.2500  0.1096  1
]