data_[Ce12V4N24]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1983]
_cell_length_b [11.5696]
_cell_length_c [5.5016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3VN6]
_chemical_formula_sum '[Ce12 V4 N24]'
_cell_volume [585.4824]
_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  8  0.1947  0.1080  0.9700  1.0
  Ce  Ce1  4  0.0000  0.3938  0.9413  1.0
  V  V2  4  0.0000  0.1967  0.5136  1.0
  N  N3  8  0.1493  0.2626  0.6748  1.0
  N  N4  8  0.1596  0.4904  0.2135  1.0
  N  N5  4  0.0000  0.0549  0.6399  1.0
  N  N6  4  0.0000  0.2116  0.1741  1.0
]