data_[Ce8Hf4Zn4N20]
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
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3550]
_cell_length_b [13.5345]
_cell_length_c [10.2237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HfZnN5]
_chemical_formula_sum '[Ce8 Hf4 Zn4 N20]'
_cell_volume [464.2424]
_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  0.1145  0.6860  1
  Ce  Ce1  4  0.0000  0.1311  0.2955  1
  Hf  Hf2  4  0.0000  0.2039  0.0011  1
  Zn  Zn3  4  0.0000  0.4860  0.4754  1
  N  N4  4  0.0000  0.0513  0.0657  1
  N  N5  4  0.0000  0.2878  0.6519  1
  N  N6  4  0.0000  0.3049  0.3611  1
  N  N7  4  0.0000  0.3597  0.0089  1
  N  N8  4  0.0000  0.4944  0.7783  1
]