data_[Li2Tb4Hf6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  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 [14.3855]
_cell_length_b [3.2841]
_cell_length_c [6.6885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTb2Hf3N6]
_chemical_formula_sum '[Li2 Tb4 Hf6 N12]'
_cell_volume [305.1281]
_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
  Tb  Tb1  4  0.1613  0.0000  0.3208  1.0
  Hf  Hf2  4  0.1612  0.0000  0.8357  1.0
  Hf  Hf3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0069  0.0000  0.7277  1.0
  N  N5  4  0.1611  0.5000  0.5959  1.0
  N  N6  4  0.1717  0.5000  0.0661  1.0
]