# generated using pymatgen
data_Fe8N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61356287
_cell_length_b   16.22247463
_cell_length_c   4.68417109
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.03077323
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe8N3
_chemical_formula_sum   'Fe48 N18'
_cell_volume   654.53461380
_cell_formula_units_Z   6
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
  Fe  Fe0  1  0.87411500  0.04149800  0.32764500  1
  Fe  Fe1  1  0.37505500  0.29132700  0.83406400  1
  Fe  Fe2  1  0.87364600  0.96102300  0.83802300  1
  Fe  Fe3  1  0.62562900  0.20553100  0.66338100  1
  Fe  Fe4  1  0.37620600  0.04329200  0.33716000  1
  Fe  Fe5  1  0.37437100  0.20553100  0.33661900  1
  Fe  Fe6  1  0.87390800  0.87561700  0.33434000  1
  Fe  Fe7  1  0.62370600  0.12519800  0.17159500  1
  Fe  Fe8  1  0.62494500  0.29132700  0.16593600  1
  Fe  Fe9  1  0.62393100  0.95686200  0.16457000  1
  Fe  Fe10  1  0.87613400  0.29306700  0.83930200  1
  Fe  Fe11  1  0.37606900  0.95686200  0.83543000  1
  Fe  Fe12  1  0.37629400  0.12519800  0.82840500  1
  Fe  Fe13  1  0.62445100  0.87584400  0.67395500  1
  Fe  Fe14  1  0.12243800  0.20808200  0.67086300  1
  Fe  Fe15  1  0.62379400  0.04329200  0.66284000  1
  Fe  Fe16  1  0.87756200  0.20808200  0.32913700  1
  Fe  Fe17  1  0.37554900  0.87584400  0.32604500  1
  Fe  Fe18  1  0.12450700  0.12251900  0.16146900  1
  Fe  Fe19  1  0.12635400  0.96102300  0.16197700  1
  Fe  Fe20  1  0.12386600  0.29306700  0.16069800  1
  Fe  Fe21  1  0.87549300  0.12251900  0.83853100  1
  Fe  Fe22  1  0.12609200  0.87561700  0.66566000  1
  Fe  Fe23  1  0.12588500  0.04149800  0.67235500  1
  Fe  Fe24  1  0.37411500  0.54149800  0.32764500  1
  Fe  Fe25  1  0.87505500  0.79132700  0.83406400  1
  Fe  Fe26  1  0.37364600  0.46102300  0.83802300  1
  Fe  Fe27  1  0.12562900  0.70553100  0.66338100  1
  Fe  Fe28  1  0.87620600  0.54329200  0.33716000  1
  Fe  Fe29  1  0.87437100  0.70553100  0.33661900  1
  Fe  Fe30  1  0.37390800  0.37561700  0.33434000  1
  Fe  Fe31  1  0.12370600  0.62519800  0.17159500  1
  Fe  Fe32  1  0.12494500  0.79132700  0.16593600  1
  Fe  Fe33  1  0.12393100  0.45686200  0.16457000  1
  Fe  Fe34  1  0.37613400  0.79306700  0.83930200  1
  Fe  Fe35  1  0.87606900  0.45686200  0.83543000  1
  Fe  Fe36  1  0.87629400  0.62519800  0.82840500  1
  Fe  Fe37  1  0.12445100  0.37584400  0.67395500  1
  Fe  Fe38  1  0.62243800  0.70808200  0.67086300  1
  Fe  Fe39  1  0.12379400  0.54329200  0.66284000  1
  Fe  Fe40  1  0.37756200  0.70808200  0.32913700  1
  Fe  Fe41  1  0.87554900  0.37584400  0.32604500  1
  Fe  Fe42  1  0.62450700  0.62251900  0.16146900  1
  Fe  Fe43  1  0.62635400  0.46102300  0.16197700  1
  Fe  Fe44  1  0.62386600  0.79306700  0.16069800  1
  Fe  Fe45  1  0.37549300  0.62251900  0.83853100  1
  Fe  Fe46  1  0.62609200  0.37561700  0.66566000  1
  Fe  Fe47  1  0.62588500  0.54149800  0.67235500  1
  N  N48  1  0.00000000  0.87867400  0.00000000  1
  N  N49  1  0.75018100  0.20814800  0.00562800  1
  N  N50  1  0.50000000  0.28804000  0.50000000  1
  N  N51  1  0.74949900  0.95860000  0.49916800  1
  N  N52  1  0.50000000  0.04132900  0.00000000  1
  N  N53  1  0.24981900  0.20814800  0.99437200  1
  N  N54  1  0.00000000  0.29514300  0.50000000  1
  N  N55  1  0.00000000  0.12183200  0.50000000  1
  N  N56  1  0.25050100  0.95860000  0.50083200  1
  N  N57  1  0.50000000  0.37867400  0.00000000  1
  N  N58  1  0.25018100  0.70814800  0.00562800  1
  N  N59  1  0.00000000  0.78804000  0.50000000  1
  N  N60  1  0.24949900  0.45860000  0.49916800  1
  N  N61  1  0.00000000  0.54132900  0.00000000  1
  N  N62  1  0.74981900  0.70814800  0.99437200  1
  N  N63  1  0.50000000  0.79514300  0.50000000  1
  N  N64  1  0.50000000  0.62183200  0.50000000  1
  N  N65  1  0.75050100  0.45860000  0.50083200  1
