data_[Ce8V4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  V  1.6300  1.3500  0.7775
  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 [3.3049]
_cell_length_b [13.1833]
_cell_length_c [10.0542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2VMoN5]
_chemical_formula_sum '[Ce8 V4 Mo4 N20]'
_cell_volume [438.0505]
_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  0.1119  0.6837  1.0
  Ce  Ce1  4  0.0000  0.1448  0.3014  1.0
  V  V2  4  0.0000  0.4612  0.4609  1.0
  Mo  Mo3  4  0.0000  0.2086  0.0092  1.0
  N  N4  4  0.0000  0.0496  0.0521  1.0
  N  N5  4  0.0000  0.2841  0.6515  1.0
  N  N6  4  0.0000  0.3195  0.3724  1.0
  N  N7  4  0.0000  0.3677  0.0041  1.0
  N  N8  4  0.0000  0.4927  0.7886  1.0
]