data_[Li4Hf2V6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0403]
_cell_length_b [8.7613]
_cell_length_c [5.2524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Hf(VN2)3]
_chemical_formula_sum '[Li4 Hf2 V6 N12]'
_cell_volume [220.8046]
_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  4  0.0000  0.3362  0.0000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  V  V2  4  0.0000  0.1806  0.5000  1.0
  V  V3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2445  0.3323  0.7307  1.0
  N  N5  4  0.2414  0.0000  0.7246  1.0
]