data_[Ce8Hf4V4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3425]
_cell_length_b [13.3954]
_cell_length_c [10.3125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HfVN5]
_chemical_formula_sum '[Ce8 Hf4 V4 N20]'
_cell_volume [461.7409]
_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  0.1127  0.6929  1.0
  Ce  Ce1  4  0.0000  0.1428  0.2965  1.0
  Hf  Hf2  4  0.0000  0.2112  0.0064  1.0
  V  V3  4  0.0000  0.4837  0.4654  1.0
  N  N4  4  0.0000  0.0452  0.0433  1.0
  N  N5  4  0.0000  0.2834  0.6538  1.0
  N  N6  4  0.0000  0.3150  0.3732  1.0
  N  N7  4  0.0000  0.3709  0.0025  1.0
  N  N8  4  0.0000  0.4916  0.7901  1.0
]