data_[Li4La8Al4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  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 [4.1021]
_cell_length_b [17.9675]
_cell_length_c [12.0365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2AlSe5]
_chemical_formula_sum '[Li4 La8 Al4 Se20]'
_cell_volume [887.1438]
_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
[
  Li  Li0  4  0.0000  0.2134  0.0201  1.0
  La  La1  4  0.0000  0.1226  0.6839  1.0
  La  La2  4  0.0000  0.1321  0.3057  1.0
  Al  Al3  4  0.0000  0.4306  0.4524  1.0
  Se  Se4  4  0.0000  0.0439  0.0586  1.0
  Se  Se5  4  0.0000  0.2934  0.6663  1.0
  Se  Se6  4  0.0000  0.3132  0.3568  1.0
  Se  Se7  4  0.0000  0.3573  0.0002  1.0
  Se  Se8  4  0.0000  0.4990  0.2798  1.0
]