data_[Li2Ce4Hf6N12]
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 [C2/m]
_cell_length_a [14.5338]
_cell_length_b [3.2851]
_cell_length_c [6.8047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCe2Hf3N6]
_chemical_formula_sum '[Li2 Ce4 Hf6 N12]'
_cell_volume [312.2540]
_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  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  4  0.1615  0.0000  0.3219  1.0
  Hf  Hf2  4  0.1610  0.0000  0.8333  1.0
  Hf  Hf3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0052  0.0000  0.7274  1.0
  N  N5  4  0.1587  0.5000  0.6040  1.0
  N  N6  4  0.1714  0.5000  0.0643  1.0
]