# generated using pymatgen
data_GaFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35498416
_cell_length_b   4.47448564
_cell_length_c   8.64067928
_cell_angle_alpha   89.99999343
_cell_angle_beta   143.78334424
_cell_angle_gamma   114.69497147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeN2
_chemical_formula_sum   'Ga2 Fe2 N4'
_cell_volume   86.49761473
_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
  Ga  Ga0  1  0.00000000  0.50000000  0.25000000  1.0
  Ga  Ga1  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.00000000  0.50000000  0.75000000  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1.0
  N  N4  1  0.50000000  0.98065000  0.12500000  1.0
  N  N5  1  0.50000000  0.01935000  0.62500000  1.0
  N  N6  1  0.53870100  0.51935000  0.39435000  1.0
  N  N7  1  0.46129900  0.48065000  0.85565000  1.0