data_[Ce4Mo4N10]
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 [11.1866]
_cell_length_b [4.1413]
_cell_length_c [5.5444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Mo2N5]
_chemical_formula_sum '[Ce4 Mo4 N10]'
_cell_volume [236.9622]
_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  0.1070  0.5000  0.8333  1.0
  Mo  Mo1  4  0.1584  0.0000  0.3935  1.0
  N  N2  4  0.1432  0.5000  0.3745  1.0
  N  N3  4  0.1718  0.0000  0.0553  1.0
  N  N4  2  0.0000  0.0000  0.5000  1.0
]