# generated using pymatgen
data_Mn2Fe9N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.16271644
_cell_length_b   3.79246126
_cell_length_c   6.02678568
_cell_angle_alpha   90.00000000
_cell_angle_beta   109.66685127
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Fe9N8
_chemical_formula_sum   'Mn4 Fe18 N16'
_cell_volume   369.39375446
_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
  Mn  Mn0  1  0.82188100  0.00000000  0.85866500  1
  Mn  Mn1  1  0.67811900  0.50000000  0.14133500  1
  Mn  Mn2  1  0.32188100  0.50000000  0.85866500  1
  Mn  Mn3  1  0.17811900  0.00000000  0.14133500  1
  Fe  Fe4  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe5  1  0.98509500  0.00000000  0.21657300  1
  Fe  Fe6  1  0.51490500  0.50000000  0.78342700  1
  Fe  Fe7  1  0.65035900  0.00000000  0.80986500  1
  Fe  Fe8  1  0.84964100  0.50000000  0.19013500  1
  Fe  Fe9  1  0.57964700  0.00000000  0.17626700  1
  Fe  Fe10  1  0.92035300  0.50000000  0.82373300  1
  Fe  Fe11  1  0.79696700  0.00000000  0.40594600  1
  Fe  Fe12  1  0.70303300  0.50000000  0.59405400  1
  Fe  Fe13  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe14  1  0.48509500  0.50000000  0.21657300  1
  Fe  Fe15  1  0.01490500  0.00000000  0.78342700  1
  Fe  Fe16  1  0.15035900  0.50000000  0.80986500  1
  Fe  Fe17  1  0.34964100  0.00000000  0.19013500  1
  Fe  Fe18  1  0.07964700  0.50000000  0.17626700  1
  Fe  Fe19  1  0.42035300  0.00000000  0.82373300  1
  Fe  Fe20  1  0.29696700  0.50000000  0.40594600  1
  Fe  Fe21  1  0.20303300  0.00000000  0.59405400  1
  N  N22  1  0.89507500  0.00000000  0.70183300  1
  N  N23  1  0.60492500  0.50000000  0.29816700  1
  N  N24  1  0.85949200  0.00000000  0.18506800  1
  N  N25  1  0.64050800  0.50000000  0.81493200  1
  N  N26  1  0.72329800  0.00000000  0.62638300  1
  N  N27  1  0.77670200  0.50000000  0.37361700  1
  N  N28  1  0.53583900  0.00000000  0.82532800  1
  N  N29  1  0.96416100  0.50000000  0.17467200  1
  N  N30  1  0.39507500  0.50000000  0.70183300  1
  N  N31  1  0.10492500  0.00000000  0.29816700  1
  N  N32  1  0.35949200  0.50000000  0.18506800  1
  N  N33  1  0.14050800  0.00000000  0.81493200  1
  N  N34  1  0.22329800  0.50000000  0.62638300  1
  N  N35  1  0.27670200  0.00000000  0.37361700  1
  N  N36  1  0.03583900  0.50000000  0.82532800  1
  N  N37  1  0.46416100  0.00000000  0.17467200  1
