data_[Ce4Mo4N14]
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 [7.2123]
_cell_length_b [9.7266]
_cell_length_c [5.2186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Mo2N7]
_chemical_formula_sum '[Ce4 Mo4 N14]'
_cell_volume [358.3374]
_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  0.3050  0.5000  1
  Mo  Mo1  4  0.2346  0.0000  0.8988  1
  N  N2  8  0.2396  0.1592  0.7030  1
  N  N3  4  0.0884  0.5000  0.7785  1
  N  N4  2  0.0000  0.0000  0.0000  1
]