data_[K8Ta4Al4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6316]
_cell_length_b [18.3294]
_cell_length_c [14.0895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2TaAlS5]
_chemical_formula_sum '[K8 Ta4 Al4 S20]'
_cell_volume [937.8710]
_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  0.0000  0.0962  0.6672  1.0
  K  K1  4  0.0000  0.1281  0.3056  1.0
  Ta  Ta2  4  0.0000  0.2244  0.0276  1.0
  Al  Al3  4  0.0000  0.4271  0.4356  1.0
  S  S4  4  0.0000  0.0710  0.0355  1.0
  S  S5  4  0.0000  0.2813  0.6458  1.0
  S  S6  4  0.0000  0.3019  0.4046  1.0
  S  S7  4  0.0000  0.3443  0.9968  1.0
  S  S8  4  0.0000  0.4899  0.3052  1.0
]