data_[Ce8Hf4Ge4N20]
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
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2799]
_cell_length_b [13.8619]
_cell_length_c [10.3827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2HfGeN5]
_chemical_formula_sum '[Ce8 Hf4 Ge4 N20]'
_cell_volume [472.0544]
_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  0.1225  0.7087  1.0
  Ce  Ce1  4  0.0000  0.1356  0.2842  1.0
  Hf  Hf2  4  0.0000  0.2190  0.0024  1.0
  Ge  Ge3  4  0.0000  0.4951  0.4742  1.0
  N  N4  4  0.0000  0.0557  0.0421  1.0
  N  N5  4  0.0000  0.2859  0.6475  1.0
  N  N6  4  0.0000  0.2965  0.3623  1.0
  N  N7  4  0.0000  0.3702  0.0108  1.0
  N  N8  4  0.0000  0.4985  0.7918  1.0
]