# generated using pymatgen
data_Fe3SiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22828204
_cell_length_b   4.76738471
_cell_length_c   5.97465857
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3SiN4
_chemical_formula_sum   'Fe6 Si2 N8'
_cell_volume   177.40324604
_cell_formula_units_Z   2
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  0.65892700  0.28780000  0.75976500  1
  Fe  Fe1  1  0.65892700  0.28780000  0.24023500  1
  Fe  Fe2  1  0.34107300  0.78780000  0.74023500  1
  Fe  Fe3  1  0.34107300  0.78780000  0.25976500  1
  Fe  Fe4  1  0.81909200  0.00115300  0.50000000  1
  Fe  Fe5  1  0.18090800  0.50115300  0.00000000  1
  Si  Si6  1  0.85515200  0.98510000  0.00000000  1
  Si  Si7  1  0.14484800  0.48510000  0.50000000  1
  N  N8  1  0.34997500  0.46416300  0.73031600  1
  N  N9  1  0.34997500  0.46416300  0.26968400  1
  N  N10  1  0.65002500  0.96416300  0.76968400  1
  N  N11  1  0.65002500  0.96416300  0.23031600  1
  N  N12  1  0.85267000  0.31696700  0.50000000  1
  N  N13  1  0.14733000  0.81696700  0.00000000  1
  N  N14  1  0.08980800  0.77785200  0.50000000  1
  N  N15  1  0.91019200  0.27785200  0.00000000  1
