data_[La2Ce2I2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5331]
_cell_length_b [4.2533]
_cell_length_c [8.2402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaCeIN2]
_chemical_formula_sum '[La2 Ce2 I2 N4]'
_cell_volume [253.5214]
_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  2  0.3433  0.7500  0.0807  1.0
  Ce  Ce1  2  0.3676  0.7500  0.5951  1.0
  I  I2  2  0.0414  0.2500  0.7510  1.0
  N  N3  2  0.4888  0.2500  0.6117  1.0
  N  N4  2  0.4951  0.2500  0.1357  1.0
]