data_[Ce8Ti4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ti  1.5400  1.4000  0.8517
  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 [3.3523]
_cell_length_b [13.1750]
_cell_length_c [10.1753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TiMoN5]
_chemical_formula_sum '[Ce8 Ti4 Mo4 N20]'
_cell_volume [449.4059]
_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  0.1136  0.6848  1.0
  Ce  Ce1  4  0.0000  0.1459  0.2969  1.0
  Ti  Ti2  4  0.0000  0.2153  0.0079  1.0
  Mo  Mo3  4  0.0000  0.4679  0.4640  1.0
  N  N4  4  0.0000  0.0528  0.0559  1.0
  N  N5  4  0.0000  0.2820  0.6522  1.0
  N  N6  4  0.0000  0.3159  0.3795  1.0
  N  N7  4  0.0000  0.3664  0.0003  1.0
  N  N8  4  0.0000  0.4921  0.7825  1.0
]