# generated using pymatgen
data_GaFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23690912
_cell_length_b   10.80407282
_cell_length_c   12.99895968
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFeN2
_chemical_formula_sum   'Ga16 Fe16 N32'
_cell_volume   735.48045604
_cell_formula_units_Z   16
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  0.61307400  0.04752300  0.18520700  1
  Ga  Ga1  1  0.11307400  0.45247700  0.81479300  1
  Ga  Ga2  1  0.38692600  0.54752300  0.31479300  1
  Ga  Ga3  1  0.88692600  0.95247700  0.68520700  1
  Ga  Ga4  1  0.38692600  0.95247700  0.81479300  1
  Ga  Ga5  1  0.88692600  0.54752300  0.18520700  1
  Ga  Ga6  1  0.61307400  0.45247700  0.68520700  1
  Ga  Ga7  1  0.11307400  0.04752300  0.31479300  1
  Ga  Ga8  1  0.80054400  0.29565600  0.06383500  1
  Ga  Ga9  1  0.30054400  0.20434400  0.93616500  1
  Ga  Ga10  1  0.19945600  0.79565600  0.43616500  1
  Ga  Ga11  1  0.69945600  0.70434400  0.56383500  1
  Ga  Ga12  1  0.19945600  0.70434400  0.93616500  1
  Ga  Ga13  1  0.69945600  0.79565600  0.06383500  1
  Ga  Ga14  1  0.80054400  0.20434400  0.56383500  1
  Ga  Ga15  1  0.30054400  0.29565600  0.43616500  1
  Fe  Fe16  1  0.64899700  0.95412700  0.44130100  1
  Fe  Fe17  1  0.14899700  0.54587300  0.55869900  1
  Fe  Fe18  1  0.35100300  0.45412700  0.05869900  1
  Fe  Fe19  1  0.85100300  0.04587300  0.94130100  1
  Fe  Fe20  1  0.35100300  0.04587300  0.55869900  1
  Fe  Fe21  1  0.85100300  0.45412700  0.44130100  1
  Fe  Fe22  1  0.64899700  0.54587300  0.94130100  1
  Fe  Fe23  1  0.14899700  0.95412700  0.05869900  1
  Fe  Fe24  1  0.78357000  0.30008800  0.30741800  1
  Fe  Fe25  1  0.28357000  0.19991200  0.69258200  1
  Fe  Fe26  1  0.21643000  0.80008800  0.19258200  1
  Fe  Fe27  1  0.71643000  0.69991200  0.80741800  1
  Fe  Fe28  1  0.21643000  0.69991200  0.69258200  1
  Fe  Fe29  1  0.71643000  0.80008800  0.30741800  1
  Fe  Fe30  1  0.78357000  0.19991200  0.80741800  1
  Fe  Fe31  1  0.28357000  0.30008800  0.19258200  1
  N  N32  1  0.72818000  0.47639800  0.30808400  1
  N  N33  1  0.22818000  0.02360200  0.69191600  1
  N  N34  1  0.27182000  0.97639800  0.19191600  1
  N  N35  1  0.77182000  0.52360200  0.80808400  1
  N  N36  1  0.27182000  0.52360200  0.69191600  1
  N  N37  1  0.77182000  0.97639800  0.30808400  1
  N  N38  1  0.72818000  0.02360200  0.80808400  1
  N  N39  1  0.22818000  0.47639800  0.19191600  1
  N  N40  1  0.67598200  0.29928500  0.44653000  1
  N  N41  1  0.17598200  0.20071500  0.55347000  1
  N  N42  1  0.32401800  0.79928500  0.05347000  1
  N  N43  1  0.82401800  0.70071500  0.94653000  1
  N  N44  1  0.32401800  0.70071500  0.55347000  1
  N  N45  1  0.82401800  0.79928500  0.44653000  1
  N  N46  1  0.67598200  0.20071500  0.94653000  1
  N  N47  1  0.17598200  0.29928500  0.05347000  1
  N  N48  1  0.70419900  0.47396100  0.06881700  1
  N  N49  1  0.20419900  0.02603900  0.93118300  1
  N  N50  1  0.29580100  0.97396100  0.43118300  1
  N  N51  1  0.79580100  0.52603900  0.56881700  1
  N  N52  1  0.29580100  0.52603900  0.93118300  1
  N  N53  1  0.79580100  0.97396100  0.06881700  1
  N  N54  1  0.70419900  0.02603900  0.56881700  1
  N  N55  1  0.20419900  0.47396100  0.43118300  1
  N  N56  1  0.62859300  0.22682500  0.18690400  1
  N  N57  1  0.12859300  0.27317500  0.81309600  1
  N  N58  1  0.37140700  0.72682500  0.31309600  1
  N  N59  1  0.87140700  0.77317500  0.68690400  1
  N  N60  1  0.37140700  0.77317500  0.81309600  1
  N  N61  1  0.87140700  0.72682500  0.18690400  1
  N  N62  1  0.62859300  0.27317500  0.68690400  1
  N  N63  1  0.12859300  0.22682500  0.31309600  1
