data_[Ce4Mo8N16]
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 [Cmcm]
_cell_length_a [3.3067]
_cell_length_b [9.9170]
_cell_length_c [9.9795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce(MoN2)2]
_chemical_formula_sum '[Ce4 Mo8 N16]'
_cell_volume [327.2564]
_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  4  0.0000  0.3777  0.2500  1.0
  Mo  Mo1  8  0.0000  0.1157  0.0571  1.0
  N  N2  8  0.0000  0.2373  0.6093  1.0
  N  N3  4  0.0000  0.0671  0.2500  1.0
  N  N4  4  0.0000  0.5000  0.0000  1.0
]