data_[K4Tb4Al4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.9210]
_cell_length_b [4.1736]
_cell_length_c [12.0695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KTbAlS3]
_chemical_formula_sum '[K4 Tb4 Al4 S12]'
_cell_volume [550.1325]
_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
[
  K  K0  4  0.1652  0.7500  0.4973  1
  Tb  Tb1  4  0.0306  0.7500  0.8345  1
  Al  Al2  4  0.2391  0.7500  0.2170  1
  S  S3  4  0.0604  0.2500  0.6735  1
  S  S4  4  0.1094  0.7500  0.0659  1
  S  S5  4  0.2062  0.2500  0.2990  1
]