data_[Li2Ce4Nb6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4175]
_cell_length_b [3.2345]
_cell_length_c [6.6201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCe2(NbN2)3]
_chemical_formula_sum '[Li2 Ce4 Nb6 N12]'
_cell_volume [296.5412]
_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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  4  0.1591  0.0000  0.3164  1.0
  Nb  Nb2  4  0.1574  0.0000  0.8196  1.0
  Nb  Nb3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0072  0.0000  0.7401  1.0
  N  N5  4  0.1615  0.5000  0.5964  1.0
  N  N6  4  0.1684  0.5000  0.0563  1.0
]