data_[Ce12Cr4N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1503]
_cell_length_b [11.6128]
_cell_length_c [5.4741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3CrN6]
_chemical_formula_sum '[Ce12 Cr4 N24]'
_cell_volume [581.6786]
_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  0.1991  0.1062  0.9655  1.0
  Ce  Ce1  4  0.0000  0.3957  0.9402  1.0
  Cr  Cr2  4  0.0000  0.1956  0.5203  1.0
  N  N3  8  0.1472  0.2592  0.6708  1.0
  N  N4  8  0.1598  0.4918  0.2092  1.0
  N  N5  4  0.0000  0.0572  0.6364  1.0
  N  N6  4  0.0000  0.2083  0.1975  1.0
]