data_[Na2La2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [6.4019]
_cell_length_b [10.1885]
_cell_length_c [9.3541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLaI4]
_chemical_formula_sum '[Na2 La2 I8]'
_cell_volume [573.3974]
_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
[
  Na  Na0  2  0.2448  0.2500  0.0024  1.0
  La  La1  2  0.4516  0.7500  0.3989  1.0
  I  I2  4  0.3910  0.0625  0.2984  1.0
  I  I3  2  0.0612  0.2500  0.6267  1.0
  I  I4  2  0.2735  0.7500  0.0340  1.0
]