data_[K1Li1La2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6075]
_cell_length_b [9.6860]
_cell_length_c [7.8706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLi(LaI4)2]
_chemical_formula_sum '[K1 Li1 La2 I8]'
_cell_volume [576.8492]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  La  La2  2  0.5000  0.2423  0.5000  1.0
  I  I3  4  0.2232  0.2176  0.1774  1.0
  I  I4  2  0.2850  0.0000  0.6650  1.0
  I  I5  2  0.2930  0.5000  0.6530  1.0
]