data_[Ce12Mo4N24]
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 [Cmc2_1]
_cell_length_a [9.2422]
_cell_length_b [11.7387]
_cell_length_c [5.6166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3MoN6]
_chemical_formula_sum '[Ce12 Mo4 N24]'
_cell_volume [609.3536]
_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
[
  Ce  Ce0  8  0.1990  0.1040  0.9691  1.0
  Ce  Ce1  4  0.0000  0.3976  0.9423  1.0
  Mo  Mo2  4  0.0000  0.1962  0.5129  1.0
  N  N3  8  0.1538  0.2626  0.6766  1.0
  N  N4  8  0.1598  0.4905  0.2131  1.0
  N  N5  4  0.0000  0.0505  0.6414  1.0
  N  N6  4  0.0000  0.2097  0.1713  1.0
]