# generated using pymatgen
data_GaFe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35479266
_cell_length_b   5.29419106
_cell_length_c   5.04717900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2N3
_chemical_formula_sum   'Ga4 Fe8 N12'
_cell_volume   249.96688831
_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
  Ga  Ga0  1  0.66592900  0.00000000  0.00307700  1
  Ga  Ga1  1  0.33407100  0.00000000  0.50307700  1
  Ga  Ga2  1  0.16592900  0.50000000  0.00307700  1
  Ga  Ga3  1  0.83407100  0.50000000  0.50307700  1
  Fe  Fe4  1  0.66492000  0.67718800  0.98825400  1
  Fe  Fe5  1  0.16492000  0.82281200  0.98825400  1
  Fe  Fe6  1  0.83508000  0.82281200  0.48825400  1
  Fe  Fe7  1  0.33508000  0.67718800  0.48825400  1
  Fe  Fe8  1  0.16492000  0.17718800  0.98825400  1
  Fe  Fe9  1  0.66492000  0.32281200  0.98825400  1
  Fe  Fe10  1  0.33508000  0.32281200  0.48825400  1
  Fe  Fe11  1  0.83508000  0.17718800  0.48825400  1
  N  N12  1  0.65890700  0.66825100  0.35207700  1
  N  N13  1  0.15890700  0.83174900  0.35207700  1
  N  N14  1  0.84109300  0.83174900  0.85207700  1
  N  N15  1  0.34109300  0.66825100  0.85207700  1
  N  N16  1  0.68549100  0.00000000  0.38826300  1
  N  N17  1  0.31450900  0.00000000  0.88826300  1
  N  N18  1  0.15890700  0.16825100  0.35207700  1
  N  N19  1  0.65890700  0.33174900  0.35207700  1
  N  N20  1  0.34109300  0.33174900  0.85207700  1
  N  N21  1  0.84109300  0.16825100  0.85207700  1
  N  N22  1  0.18549100  0.50000000  0.38826300  1
  N  N23  1  0.81450900  0.50000000  0.88826300  1
