data_[Li2Ce2Hf2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9603]
_cell_length_b [3.3922]
_cell_length_c [8.3784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCeHfN3]
_chemical_formula_sum '[Li2 Ce2 Hf2 N6]'
_cell_volume [164.4961]
_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
[
  Li  Li0  2  0.3381  0.7500  0.9427  1.0
  Ce  Ce1  2  0.3473  0.2500  0.3058  1.0
  Hf  Hf2  2  0.1362  0.2500  0.6673  1.0
  N  N3  2  0.0314  0.7500  0.7801  1.0
  N  N4  2  0.2380  0.7500  0.4944  1.0
  N  N5  2  0.4806  0.2500  0.8135  1.0
]