# generated using pymatgen
data_FeSiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90474568
_cell_length_b   5.54162058
_cell_length_c   5.02448470
_cell_angle_alpha   90.00000000
_cell_angle_beta   111.77291014
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiN2
_chemical_formula_sum   'Fe4 Si4 N8'
_cell_volume   152.68165690
_cell_formula_units_Z   4
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  0.56630000  0.83781600  0.38138200  1
  Fe  Fe1  1  0.93370000  0.33781600  0.61861800  1
  Fe  Fe2  1  0.43370000  0.16218400  0.61861800  1
  Fe  Fe3  1  0.06630000  0.66218400  0.38138200  1
  Si  Si4  1  0.49114400  0.36826700  0.17275600  1
  Si  Si5  1  0.00885600  0.86826700  0.82724400  1
  Si  Si6  1  0.50885600  0.63173300  0.82724400  1
  Si  Si7  1  0.99114400  0.13173300  0.17275600  1
  N  N8  1  0.17579800  0.86622200  0.15041000  1
  N  N9  1  0.32420200  0.36622200  0.84959000  1
  N  N10  1  0.82420200  0.13377800  0.84959000  1
  N  N11  1  0.67579800  0.63377800  0.15041000  1
  N  N12  1  0.24353000  0.35397300  0.31406200  1
  N  N13  1  0.25647000  0.85397300  0.68593800  1
  N  N14  1  0.75647000  0.64602700  0.68593800  1
  N  N15  1  0.74353000  0.14602700  0.31406200  1
