data_[Ce4Hf8Sc4N16]
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
  Sc  1.3600  1.6000  0.8850
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.5592]
_cell_length_b [6.6482]
_cell_length_c [9.3468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CeHf2ScN4]
_chemical_formula_sum '[Ce4 Hf8 Sc4 N16]'
_cell_volume [407.5861]
_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  0.2500  0.2500  0.7500  1.0
  Hf  Hf1  4  0.0000  0.0000  0.5000  1.0
  Hf  Hf2  4  0.2500  0.2500  0.2500  1.0
  Sc  Sc3  4  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.0000  0.0212  0.2530  1.0
  N  N5  8  0.2442  0.2500  0.4907  1.0
]