data_[Ce2Y4Hf6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6659]
_cell_length_b [3.3160]
_cell_length_c [6.7469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeY2Hf3N6]
_chemical_formula_sum '[Ce2 Y4 Hf6 N12]'
_cell_volume [317.7225]
_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  2  0.0000  0.5000  0.0000  1
  Y  Y1  4  0.1672  0.0000  0.3338  1
  Hf  Hf2  4  0.1677  0.0000  0.8331  1
  Hf  Hf3  2  0.0000  0.5000  0.5000  1
  N  N4  4  0.0061  0.0000  0.7300  1
  N  N5  4  0.1618  0.5000  0.5979  1
  N  N6  4  0.1746  0.5000  0.0696  1
]