data_[K4Na2La2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3430]
_cell_length_b [8.9274]
_cell_length_c [14.4821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2NaLaI6]
_chemical_formula_sum '[K4 Na2 La2 I12]'
_cell_volume [898.7394]
_cell_formula_units_Z [2]
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  0.2929  0.5910  0.7573  1.0
  Na  Na1  2  0.5000  0.0000  0.0000  1.0
  La  La2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1211  0.5373  0.2495  1.0
  I  I4  4  0.2446  0.1990  0.0637  1.0
  I  I5  4  0.3684  0.6895  0.0602  1.0
]