data_[La3Ce1I2N2]
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 [P3m1]
_cell_length_a [3.8567]
_cell_length_b [3.8567]
_cell_length_c [15.5828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [La3Ce(IN)2]
_chemical_formula_sum '[La3 Ce1 I2 N2]'
_cell_volume [200.7312]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5869  1
  La  La1  1  0.6667  0.3333  0.0842  1
  La  La2  1  0.6667  0.3333  0.4142  1
  Ce  Ce3  1  0.0000  0.0000  0.9118  1
  I  I4  1  0.0000  0.0000  0.2497  1
  I  I5  1  0.6667  0.3333  0.7500  1
  N  N6  1  0.3333  0.6667  0.0024  1
  N  N7  1  0.3333  0.6667  0.5008  1
]