# generated using pymatgen
data_LiFeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06532810
_cell_length_b   9.19055886
_cell_length_c   5.65465866
_cell_angle_alpha   89.99387340
_cell_angle_beta   122.82070766
_cell_angle_gamma   89.99955800
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeN
_chemical_formula_sum   'Li4 Fe4 N4'
_cell_volume   133.87399204
_cell_formula_units_Z   4
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  0.46425156  0.49475510  0.71413315  1
  Li  Li1  1  0.53577804  -0.00523397  0.78589598  1
  Li  Li2  1  0.53574171  0.50525008  0.28584063  1
  Li  Li3  1  0.46422932  0.00524011  0.21412716  1
  Fe  Fe4  1  0.17614898  0.24398638  0.92613507  1
  Fe  Fe5  1  0.82386412  0.74396627  0.57390597  1
  Fe  Fe6  1  0.82382189  0.75601496  0.07385655  1
  Fe  Fe7  1  0.17615474  0.25602149  0.42610877  1
  N  N8  1  0.15256522  0.84921596  0.90258038  1
  N  N9  1  0.84742976  0.34919935  0.59739583  1
  N  N10  1  0.84742668  0.15078409  0.09741859  1
  N  N11  1  0.15258798  0.65080017  0.40260193  1
