data_[La8I4N4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4684]
_cell_length_b [4.1100]
_cell_length_c [10.2879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2INO]
_chemical_formula_sum '[La8 I4 N4 O4]'
_cell_volume [495.2774]
_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
[
  La  La0  4  0.0250  0.5000  0.2795  1.0
  La  La1  4  0.1524  0.0000  0.0504  1.0
  I  I2  4  0.1696  0.0000  0.6252  1.0
  N  N3  4  0.0361  0.0000  0.1745  1.0
  O  O4  4  0.1519  0.5000  0.9336  1.0
]