# generated using pymatgen
data_Y2FeN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07372978
_cell_length_b   10.58836554
_cell_length_c   11.35646812
_cell_angle_alpha   90.00000000
_cell_angle_beta   93.58872624
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeN3
_chemical_formula_sum   'Y16 Fe8 N24'
_cell_volume   608.90155878
_cell_formula_units_Z   8
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
  Y  Y0  1  0.26625400  0.70725900  0.14766100  1
  Y  Y1  1  0.73374600  0.70725900  0.35233900  1
  Y  Y2  1  0.23374600  0.79274100  0.85233900  1
  Y  Y3  1  0.76625400  0.79274100  0.64766100  1
  Y  Y4  1  0.24095800  0.89534600  0.43639600  1
  Y  Y5  1  0.75904200  0.89534600  0.06360400  1
  Y  Y6  1  0.25904200  0.60465400  0.56360400  1
  Y  Y7  1  0.74095800  0.60465400  0.93639600  1
  Y  Y8  1  0.76625400  0.20725900  0.14766100  1
  Y  Y9  1  0.23374600  0.20725900  0.35233900  1
  Y  Y10  1  0.73374600  0.29274100  0.85233900  1
  Y  Y11  1  0.26625400  0.29274100  0.64766100  1
  Y  Y12  1  0.74095800  0.39534600  0.43639600  1
  Y  Y13  1  0.25904200  0.39534600  0.06360400  1
  Y  Y14  1  0.75904200  0.10465400  0.56360400  1
  Y  Y15  1  0.24095800  0.10465400  0.93639600  1
  Fe  Fe16  1  0.21458600  0.50369600  0.32394100  1
  Fe  Fe17  1  0.78541400  0.50369600  0.17605900  1
  Fe  Fe18  1  0.28541400  0.99630400  0.67605900  1
  Fe  Fe19  1  0.71458600  0.99630400  0.82394100  1
  Fe  Fe20  1  0.71458600  0.00369600  0.32394100  1
  Fe  Fe21  1  0.28541400  0.00369600  0.17605900  1
  Fe  Fe22  1  0.78541400  0.49630400  0.67605900  1
  Fe  Fe23  1  0.21458600  0.49630400  0.82394100  1
  N  N24  1  0.50000000  0.88451800  0.25000000  1
  N  N25  1  0.00000000  0.61548200  0.75000000  1
  N  N26  1  0.20782600  0.68378800  0.36798400  1
  N  N27  1  0.79217400  0.68378800  0.13201600  1
  N  N28  1  0.29217400  0.81621200  0.63201600  1
  N  N29  1  0.70782600  0.81621200  0.86798400  1
  N  N30  1  0.25640600  0.59869200  0.96699500  1
  N  N31  1  0.74359400  0.59869200  0.53300500  1
  N  N32  1  0.24359400  0.90130800  0.03300500  1
  N  N33  1  0.75640600  0.90130800  0.46699500  1
  N  N34  1  0.50000000  0.50321200  0.25000000  1
  N  N35  1  0.00000000  0.99678800  0.75000000  1
  N  N36  1  0.00000000  0.38451800  0.25000000  1
  N  N37  1  0.50000000  0.11548200  0.75000000  1
  N  N38  1  0.70782600  0.18378800  0.36798400  1
  N  N39  1  0.29217400  0.18378800  0.13201600  1
  N  N40  1  0.79217400  0.31621200  0.63201600  1
  N  N41  1  0.20782600  0.31621200  0.86798400  1
  N  N42  1  0.75640600  0.09869200  0.96699500  1
  N  N43  1  0.24359400  0.09869200  0.53300500  1
  N  N44  1  0.74359400  0.40130800  0.03300500  1
  N  N45  1  0.25640600  0.40130800  0.46699500  1
  N  N46  1  0.00000000  0.00321200  0.25000000  1
  N  N47  1  0.50000000  0.49678800  0.75000000  1
