data_[Ac8Tb2S14]
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 [Cm]
_cell_length_a [13.9642]
_cell_length_b [4.1442]
_cell_length_c [12.1861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac4TbS7]
_chemical_formula_sum '[Ac8 Tb2 S14]'
_cell_volume [679.0440]
_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  0.0010  0.0000  0.9941  1
  Ac  Ac1  2  0.1088  0.0000  0.4310  1
  Ac  Ac2  2  0.2006  0.5000  0.8061  1
  Ac  Ac3  2  0.3060  0.0000  0.1999  1
  Tb  Tb4  2  0.3853  0.5000  0.5758  1
  S  S5  2  0.0402  0.0000  0.7692  1
  S  S6  2  0.1620  0.5000  0.0509  1
  S  S7  2  0.2412  0.5000  0.3634  1
  S  S8  2  0.2744  0.0000  0.6481  1
  S  S9  2  0.3403  0.0000  0.9511  1
  S  S10  2  0.4594  0.5000  0.2149  1
  S  S11  2  0.4809  0.0000  0.4955  1
]