data_[La8Ce4N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.4036]
_cell_length_b [11.0575]
_cell_length_c [6.3664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2CeN3]
_chemical_formula_sum '[La8 Ce4 N12]'
_cell_volume [425.0569]
_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  0.0000  0.0841  0.7500  1.0
  La  La1  4  0.0000  0.2510  0.2500  1.0
  Ce  Ce2  4  0.0000  0.4186  0.7500  1.0
  N  N3  8  0.2238  0.4249  0.4988  1.0
  N  N4  4  0.2500  0.2500  0.0000  1.0
]