data_[Ce10Mo2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0095]
_cell_length_b [10.3852]
_cell_length_c [6.0025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5MoN6]
_chemical_formula_sum '[Ce10 Mo2 N12]'
_cell_volume [353.0927]
_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
[
  Ce  Ce0  4  0.0000  0.1666  0.5000  1.0
  Ce  Ce1  4  0.0000  0.3335  0.0000  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Mo  Mo3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2351  0.1569  0.2350  1.0
  N  N5  4  0.2339  0.0000  0.7589  1.0
]