data_[K8Ta4Al4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7790]
_cell_length_b [19.3703]
_cell_length_c [14.5272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2TaAlSe5]
_chemical_formula_sum '[K8 Ta4 Al4 Se20]'
_cell_volume [1063.3957]
_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  0.1048  0.6711  1
  K  K1  4  0.0000  0.1268  0.3038  1
  Ta  Ta2  4  0.0000  0.2243  0.0270  1
  Al  Al3  4  0.0000  0.4255  0.4357  1
  Se  Se4  4  0.0000  0.0722  0.0409  1
  Se  Se5  4  0.0000  0.2813  0.6496  1
  Se  Se6  4  0.0000  0.3008  0.3994  1
  Se  Se7  4  0.0000  0.3449  0.9953  1
  Se  Se8  4  0.0000  0.4897  0.3010  1
]