# generated using pymatgen
data_Fe3SiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.32223207
_cell_length_b   5.84299153
_cell_length_c   5.43964070
_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   'Fe12 Si4 N16'
_cell_volume   328.07949682
_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  0.35822300  0.02719500  0.15988600  1
  Fe  Fe1  1  0.14177700  0.47280500  0.65988600  1
  Fe  Fe2  1  0.64177700  0.52719500  0.84011400  1
  Fe  Fe3  1  0.85822300  0.97280500  0.34011400  1
  Fe  Fe4  1  0.64177700  0.97280500  0.84011400  1
  Fe  Fe5  1  0.85822300  0.52719500  0.34011400  1
  Fe  Fe6  1  0.35822300  0.47280500  0.15988600  1
  Fe  Fe7  1  0.14177700  0.02719500  0.65988600  1
  Fe  Fe8  1  0.35406400  0.25000000  0.93787300  1
  Fe  Fe9  1  0.14593600  0.25000000  0.43787300  1
  Fe  Fe10  1  0.64593600  0.75000000  0.06212700  1
  Fe  Fe11  1  0.85406400  0.75000000  0.56212700  1
  Si  Si12  1  0.82653100  0.25000000  0.09016700  1
  Si  Si13  1  0.67346900  0.25000000  0.59016700  1
  Si  Si14  1  0.17346900  0.75000000  0.90983300  1
  Si  Si15  1  0.32653100  0.75000000  0.40983300  1
  N  N16  1  0.14730200  0.25000000  0.08521400  1
  N  N17  1  0.35269800  0.25000000  0.58521400  1
  N  N18  1  0.85269800  0.75000000  0.91478600  1
  N  N19  1  0.64730200  0.75000000  0.41478600  1
  N  N20  1  0.70730000  0.25000000  0.93214700  1
  N  N21  1  0.79270000  0.25000000  0.43214700  1
  N  N22  1  0.29270000  0.75000000  0.06785300  1
  N  N23  1  0.20730000  0.75000000  0.56785300  1
  N  N24  1  0.71736800  0.00733400  0.16948200  1
  N  N25  1  0.78263200  0.49266600  0.66948200  1
  N  N26  1  0.28263200  0.50733400  0.83051800  1
  N  N27  1  0.21736800  0.99266600  0.33051800  1
  N  N28  1  0.28263200  0.99266600  0.83051800  1
  N  N29  1  0.21736800  0.50733400  0.33051800  1
  N  N30  1  0.71736800  0.49266600  0.16948200  1
  N  N31  1  0.78263200  0.00733400  0.66948200  1
