# generated using pymatgen
data_Li6FeN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47704500
_cell_length_b   6.47704500
_cell_length_c   4.90053300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6FeN4
_chemical_formula_sum   'Li12 Fe2 N8'
_cell_volume   205.58770894
_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  0.50000000  0.61173800  1.0
  Li  Li1  1  0.50000000  0.00000000  0.88826200  1.0
  Li  Li2  1  0.50000000  0.00000000  0.38826200  1.0
  Li  Li3  1  0.00000000  0.50000000  0.11173800  1.0
  Li  Li4  1  0.21518100  0.21518100  0.50000000  1.0
  Li  Li5  1  0.78481900  0.78481900  0.50000000  1.0
  Li  Li6  1  0.71518100  0.71518100  0.00000000  1.0
  Li  Li7  1  0.28481900  0.28481900  0.00000000  1.0
  Li  Li8  1  0.78481900  0.21518100  0.50000000  1.0
  Li  Li9  1  0.21518100  0.78481900  0.50000000  1.0
  Li  Li10  1  0.28481900  0.71518100  0.00000000  1.0
  Li  Li11  1  0.71518100  0.28481900  0.00000000  1.0
  Fe  Fe12  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe13  1  0.00000000  0.00000000  0.00000000  1.0
  N  N14  1  0.26550800  0.50000000  0.31460600  1.0
  N  N15  1  0.73449200  0.50000000  0.31460600  1.0
  N  N16  1  0.76550800  0.00000000  0.18539400  1.0
  N  N17  1  0.23449200  0.00000000  0.18539400  1.0
  N  N18  1  0.50000000  0.26550800  0.68539400  1.0
  N  N19  1  0.50000000  0.73449200  0.68539400  1.0
  N  N20  1  0.00000000  0.76550800  0.81460600  1.0
  N  N21  1  0.00000000  0.23449200  0.81460600  1.0