# generated using pymatgen
data_FeSiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11182012
_cell_length_b   10.19310750
_cell_length_c   13.15097495
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiN2
_chemical_formula_sum   'Fe16 Si16 N32'
_cell_volume   685.23591594
_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
  Fe  Fe0  1  0.68955600  0.96272700  0.43439100  1
  Fe  Fe1  1  0.18955600  0.53727300  0.56560900  1
  Fe  Fe2  1  0.31044400  0.46272700  0.06560900  1
  Fe  Fe3  1  0.81044400  0.03727300  0.93439100  1
  Fe  Fe4  1  0.31044400  0.03727300  0.56560900  1
  Fe  Fe5  1  0.81044400  0.46272700  0.43439100  1
  Fe  Fe6  1  0.68955600  0.53727300  0.93439100  1
  Fe  Fe7  1  0.18955600  0.96272700  0.06560900  1
  Fe  Fe8  1  0.79021900  0.28009700  0.31237800  1
  Fe  Fe9  1  0.29021800  0.21990300  0.68762200  1
  Fe  Fe10  1  0.20978100  0.78009700  0.18762200  1
  Fe  Fe11  1  0.70978100  0.71990300  0.81237800  1
  Fe  Fe12  1  0.20978100  0.71990300  0.68762200  1
  Fe  Fe13  1  0.70978100  0.78009700  0.31237800  1
  Fe  Fe14  1  0.79021900  0.21990300  0.81237800  1
  Fe  Fe15  1  0.29021800  0.28009700  0.18762200  1
  Si  Si16  1  0.66104100  0.03780800  0.18630800  1
  Si  Si17  1  0.16104100  0.46219200  0.81369200  1
  Si  Si18  1  0.33895900  0.53780800  0.31369200  1
  Si  Si19  1  0.83895900  0.96219200  0.68630800  1
  Si  Si20  1  0.33895900  0.96219200  0.81369200  1
  Si  Si21  1  0.83895900  0.53780800  0.18630800  1
  Si  Si22  1  0.66104100  0.46219200  0.68630800  1
  Si  Si23  1  0.16104100  0.03780800  0.31369200  1
  Si  Si24  1  0.78684800  0.28910900  0.06155800  1
  Si  Si25  1  0.28684800  0.21089100  0.93844200  1
  Si  Si26  1  0.21315200  0.78910900  0.43844200  1
  Si  Si27  1  0.71315200  0.71089100  0.56155800  1
  Si  Si28  1  0.21315200  0.71089100  0.93844200  1
  Si  Si29  1  0.71315200  0.78910900  0.06155800  1
  Si  Si30  1  0.78684800  0.21089100  0.56155800  1
  Si  Si31  1  0.28684800  0.28910900  0.43844200  1
  N  N32  1  0.66485200  0.49151300  0.29496800  1
  N  N33  1  0.16485200  0.00848700  0.70503200  1
  N  N34  1  0.33514800  0.99151300  0.20503200  1
  N  N35  1  0.83514800  0.50848700  0.79496800  1
  N  N36  1  0.33514800  0.50848700  0.70503200  1
  N  N37  1  0.83514800  0.99151300  0.29496800  1
  N  N38  1  0.66485200  0.00848700  0.79496800  1
  N  N39  1  0.16485200  0.49151300  0.20503200  1
  N  N40  1  0.62653900  0.27062100  0.45356400  1
  N  N41  1  0.12653900  0.22937900  0.54643600  1
  N  N42  1  0.37346100  0.77062100  0.04643600  1
  N  N43  1  0.87346100  0.72937900  0.95356400  1
  N  N44  1  0.37346100  0.72937900  0.54643600  1
  N  N45  1  0.87346100  0.77062100  0.45356400  1
  N  N46  1  0.62653900  0.22937900  0.95356400  1
  N  N47  1  0.12653900  0.27062100  0.04643600  1
  N  N48  1  0.71945200  0.45689700  0.07818300  1
  N  N49  1  0.21945200  0.04310300  0.92181700  1
  N  N50  1  0.28054800  0.95689700  0.42181700  1
  N  N51  1  0.78054800  0.54310300  0.57818300  1
  N  N52  1  0.28054800  0.54310300  0.92181700  1
  N  N53  1  0.78054800  0.95689700  0.07818300  1
  N  N54  1  0.71945200  0.04310300  0.57818300  1
  N  N55  1  0.21945200  0.45689700  0.42181700  1
  N  N56  1  0.67393500  0.20864100  0.17093100  1
  N  N57  1  0.17393500  0.29135900  0.82906900  1
  N  N58  1  0.32606500  0.70864100  0.32906900  1
  N  N59  1  0.82606500  0.79135900  0.67093100  1
  N  N60  1  0.32606500  0.79135900  0.82906900  1
  N  N61  1  0.82606500  0.70864100  0.17093100  1
  N  N62  1  0.67393500  0.29135900  0.67093100  1
  N  N63  1  0.17393500  0.20864100  0.32906900  1
