data_[K3Ac3Tb12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [R3m]
_cell_length_a [8.2528]
_cell_length_b [8.2528]
_cell_length_c [21.1421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KAc(TbS2)4]
_chemical_formula_sum '[K3 Ac3 Tb12 S24]'
_cell_volume [1247.0420]
_cell_formula_units_Z [3]
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
[
  K  K0  3  0.0000  0.0000  0.3696  1
  Tb  Tb1  9  0.1726  0.3452  0.8319  1
  Ac  Ac2  3  0.0000  0.0000  0.0030  1
  Tb  Tb3  3  0.0000  0.0000  0.6260  1
  S  S4  9  0.0339  0.5169  0.7621  1
  S  S5  9  0.1714  0.3429  0.5769  1
  S  S6  3  0.0000  0.0000  0.2321  1
  S  S7  3  0.0000  0.0000  0.7567  1
]