# generated using pymatgen
data_LiHf2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51661744
_cell_length_b   6.57642292
_cell_length_c   4.33060357
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.30405648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2N3
_chemical_formula_sum   'Li2 Hf4 N6'
_cell_volume   160.23309718
_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  1  0.00000000  0.63089229  0.43133500  1
  Li  Li1  1  1.00000000  0.36910771  0.93133500  1
  Hf  Hf2  1  0.31907740  0.33562167  0.43133200  1
  Hf  Hf3  1  0.68092260  0.01654327  0.43133200  1
  Hf  Hf4  1  0.68092260  0.66437833  0.93133200  1
  Hf  Hf5  1  0.31907740  0.98345673  0.93133200  1
  N  N6  1  0.36643758  0.33070720  0.93133200  1
  N  N7  1  0.63356242  0.96427063  0.93133200  1
  N  N8  1  0.63356242  0.66929280  0.43133200  1
  N  N9  1  0.36643758  0.03572937  0.43133200  1
  N  N10  1  0.00000000  0.68981379  0.93133500  1
  N  N11  1  1.00000000  0.31018621  0.43133500  1
