# generated using pymatgen
data_FeSi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34420332
_cell_length_b   5.40140338
_cell_length_c   4.80548872
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2N3
_chemical_formula_sum   'Fe4 Si8 N12'
_cell_volume   242.54172034
_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  0.89506600  0.50000000  0.52314300  1
  Fe  Fe1  1  0.10493400  0.50000000  0.02314300  1
  Fe  Fe2  1  0.39506600  0.00000000  0.52314300  1
  Fe  Fe3  1  0.60493400  0.00000000  0.02314300  1
  Si  Si4  1  0.84272700  0.16677800  0.50007300  1
  Si  Si5  1  0.84272700  0.83322200  0.50007300  1
  Si  Si6  1  0.15727300  0.83322200  0.00007300  1
  Si  Si7  1  0.15727300  0.16677800  0.00007300  1
  Si  Si8  1  0.34272700  0.66677800  0.50007300  1
  Si  Si9  1  0.34272700  0.33322200  0.50007300  1
  Si  Si10  1  0.65727300  0.33322200  0.00007300  1
  Si  Si11  1  0.65727300  0.66677800  0.00007300  1
  N  N12  1  0.85484900  0.19829100  0.13739400  1
  N  N13  1  0.85484900  0.80170900  0.13739400  1
  N  N14  1  0.14515100  0.80170900  0.63739400  1
  N  N15  1  0.14515100  0.19829100  0.63739400  1
  N  N16  1  0.73812800  0.50000000  0.11392300  1
  N  N17  1  0.26187200  0.50000000  0.61392300  1
  N  N18  1  0.35484900  0.69829100  0.13739400  1
  N  N19  1  0.35484900  0.30170900  0.13739400  1
  N  N20  1  0.64515100  0.30170900  0.63739400  1
  N  N21  1  0.64515100  0.69829100  0.63739400  1
  N  N22  1  0.23812800  0.00000000  0.11392300  1
  N  N23  1  0.76187200  0.00000000  0.61392300  1
