data_[La8I12N2]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.2356]
_cell_length_b [10.2356]
_cell_length_c [8.5746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [La4I6N]
_chemical_formula_sum '[La8 I12 N2]'
_cell_volume [777.9807]
_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
[
  La  La0  6  0.2061  0.4121  0.1766  1
  La  La1  2  0.3333  0.6667  0.5091  1
  I  I2  6  0.0568  0.5284  0.8670  1
  I  I3  6  0.1365  0.2730  0.5498  1
  N  N4  2  0.3333  0.6667  0.2184  1
]