data_[Na4La2I8]
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 [C2/m]
_cell_length_a [17.7073]
_cell_length_b [4.2941]
_cell_length_c [8.1774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2LaI4]
_chemical_formula_sum '[Na4 La2 I8]'
_cell_volume [552.4740]
_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  4  0.2370  0.5000  0.7193  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.1230  0.0000  0.4344  1.0
  I  I3  4  0.1345  0.5000  0.9691  1.0
]