data_[Ce2Mo2N6]
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 [P2_1/m]
_cell_length_a [5.6367]
_cell_length_b [3.8087]
_cell_length_c [8.0881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeMoN3]
_chemical_formula_sum '[Ce2 Mo2 N6]'
_cell_volume [163.8762]
_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  2  0.2785  0.7500  0.3217  1.0
  Mo  Mo1  2  0.3547  0.7500  0.8330  1.0
  N  N2  2  0.0183  0.7500  0.7575  1.0
  N  N3  2  0.4631  0.7500  0.6241  1.0
  N  N4  2  0.4999  0.2500  0.8880  1.0
]