# generated using pymatgen
data_ZnFe3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79347989
_cell_length_b   2.84807634
_cell_length_c   10.99989969
_cell_angle_alpha   90.30856538
_cell_angle_beta   89.29810558
_cell_angle_gamma   118.91959990
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe3N
_chemical_formula_sum   'Zn2 Fe6 N2'
_cell_volume   76.59664322
_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
  Fe  Fe0  1  0.03637990  0.96609217  0.73562866  1
  Fe  Fe1  1  0.31988844  0.67330921  0.08050210  1
  Fe  Fe2  1  0.66405314  0.32780206  0.61517036  1
  Fe  Fe3  1  0.01058976  0.02871357  0.31508759  1
  Fe  Fe4  1  0.33533627  0.67182791  0.40624362  1
  Fe  Fe5  1  0.67039967  0.33442432  0.88151234  1
  Zn  Zn6  1  0.68539649  0.33250228  0.42805311  1
  Zn  Zn7  1  0.68892223  0.31863436  0.12908006  1
  N  N8  1  0.27782673  0.67228717  0.56695700  1
  N  N9  1  0.31120732  0.67440689  0.84176517  1