data_[La2Ce10N12]
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/m]
_cell_length_a [6.2296]
_cell_length_b [10.7863]
_cell_length_c [6.2271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCe5N6]
_chemical_formula_sum '[La2 Ce10 N12]'
_cell_volume [394.5329]
_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  0.0000  0.0000  0.0000  1
  Ce  Ce1  4  0.0000  0.1668  0.5000  1
  Ce  Ce2  4  0.0000  0.3332  0.0000  1
  Ce  Ce3  2  0.0000  0.5000  0.5000  1
  N  N4  8  0.2399  0.3260  0.7422  1
  N  N5  4  0.2368  0.5000  0.2562  1
]