data_[Ce6Hf4Sc2N12]
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 [C2/m]
_cell_length_a [5.7648]
_cell_length_b [9.9868]
_cell_length_c [5.9901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Hf2ScN6]
_chemical_formula_sum '[Ce6 Hf4 Sc2 N12]'
_cell_volume [326.7425]
_cell_formula_units_Z [2]
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  0.1653  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Hf  Hf2  4  0.0000  0.3332  0.0000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2418  0.1692  0.2175  1.0
  N  N5  4  0.2335  0.5000  0.2161  1.0
]