# generated using pymatgen
data_YFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02187933
_cell_length_b   11.08020685
_cell_length_c   13.42612822
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeN2
_chemical_formula_sum   'Y16 Fe16 N32'
_cell_volume   895.84052996
_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
  Y  Y0  1  0.63065200  0.05581500  0.30976600  1
  Y  Y1  1  0.13065200  0.44418500  0.69023400  1
  Y  Y2  1  0.36934800  0.55581500  0.19023400  1
  Y  Y3  1  0.86934800  0.94418500  0.80976600  1
  Y  Y4  1  0.36934800  0.94418500  0.69023400  1
  Y  Y5  1  0.86934800  0.55581500  0.30976600  1
  Y  Y6  1  0.63065200  0.44418500  0.80976600  1
  Y  Y7  1  0.13065200  0.05581500  0.19023400  1
  Y  Y8  1  0.92520700  0.28130300  0.44238800  1
  Y  Y9  1  0.42520700  0.21869700  0.55761200  1
  Y  Y10  1  0.07479300  0.78130300  0.05761200  1
  Y  Y11  1  0.57479300  0.71869700  0.94238800  1
  Y  Y12  1  0.07479300  0.71869700  0.55761200  1
  Y  Y13  1  0.57479300  0.78130300  0.44238800  1
  Y  Y14  1  0.92520700  0.21869700  0.94238800  1
  Y  Y15  1  0.42520700  0.28130300  0.05761200  1
  Fe  Fe16  1  0.16177900  0.95985400  0.45549200  1
  Fe  Fe17  1  0.66177900  0.54014600  0.54450800  1
  Fe  Fe18  1  0.83822100  0.45985400  0.04450800  1
  Fe  Fe19  1  0.33822100  0.04014600  0.95549200  1
  Fe  Fe20  1  0.83822100  0.04014600  0.54450800  1
  Fe  Fe21  1  0.33822100  0.45985400  0.45549200  1
  Fe  Fe22  1  0.16177900  0.54014600  0.95549200  1
  Fe  Fe23  1  0.66177900  0.95985400  0.04450800  1
  Fe  Fe24  1  0.21390200  0.30073700  0.27380100  1
  Fe  Fe25  1  0.71390200  0.19926300  0.72619900  1
  Fe  Fe26  1  0.78609800  0.80073700  0.22619900  1
  Fe  Fe27  1  0.28609800  0.69926300  0.77380100  1
  Fe  Fe28  1  0.78609800  0.69926300  0.72619900  1
  Fe  Fe29  1  0.28609800  0.80073700  0.27380100  1
  Fe  Fe30  1  0.21390200  0.19926300  0.77380100  1
  Fe  Fe31  1  0.71390200  0.30073700  0.22619900  1
  N  N32  1  0.17650200  0.36911500  0.54014900  1
  N  N33  1  0.67650200  0.13088500  0.45985100  1
  N  N34  1  0.82349800  0.86911500  0.95985100  1
  N  N35  1  0.32349800  0.63088500  0.04014900  1
  N  N36  1  0.82349800  0.63088500  0.45985100  1
  N  N37  1  0.32349800  0.86911500  0.54014900  1
  N  N38  1  0.17650200  0.13088500  0.04014900  1
  N  N39  1  0.67650200  0.36911500  0.95985100  1
  N  N40  1  0.61973400  0.40334700  0.46916800  1
  N  N41  1  0.11973400  0.09665300  0.53083200  1
  N  N42  1  0.38026600  0.90334700  0.03083200  1
  N  N43  1  0.88026600  0.59665300  0.96916800  1
  N  N44  1  0.38026600  0.59665300  0.53083200  1
  N  N45  1  0.88026600  0.90334700  0.46916800  1
  N  N46  1  0.61973400  0.09665300  0.96916800  1
  N  N47  1  0.11973400  0.40334700  0.03083200  1
  N  N48  1  0.95184500  0.21817600  0.26785900  1
  N  N49  1  0.45184500  0.28182400  0.73214100  1
  N  N50  1  0.04815500  0.71817600  0.23214100  1
  N  N51  1  0.54815500  0.78182400  0.76785900  1
  N  N52  1  0.04815500  0.78182400  0.73214100  1
  N  N53  1  0.54815500  0.71817600  0.26785900  1
  N  N54  1  0.95184500  0.28182400  0.76785900  1
  N  N55  1  0.45184500  0.21817600  0.23214100  1
  N  N56  1  0.70091300  0.44644800  0.16556100  1
  N  N57  1  0.20091300  0.05355200  0.83443900  1
  N  N58  1  0.29908700  0.94644800  0.33443900  1
  N  N59  1  0.79908700  0.55355200  0.66556100  1
  N  N60  1  0.29908700  0.55355200  0.83443900  1
  N  N61  1  0.79908700  0.94644800  0.16556100  1
  N  N62  1  0.70091300  0.05355200  0.66556100  1
  N  N63  1  0.20091300  0.44644800  0.33443900  1
