# generated using pymatgen
data_Mn(Fe5N4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.19975409
_cell_length_b   3.82246024
_cell_length_c   6.26905060
_cell_angle_alpha   90.00000000
_cell_angle_beta   108.27588420
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(Fe5N4)2
_chemical_formula_sum   'Mn2 Fe20 N16'
_cell_volume   345.86180709
_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  0.00000000  0.50000000  0.50000000  1
  Mn  Mn1  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe2  1  0.76681300  0.00000000  0.84493100  1
  Fe  Fe3  1  0.73318700  0.50000000  0.15506900  1
  Fe  Fe4  1  0.98917000  0.00000000  0.78033400  1
  Fe  Fe5  1  0.51083000  0.50000000  0.21966600  1
  Fe  Fe6  1  0.67325900  0.00000000  0.41678200  1
  Fe  Fe7  1  0.82674100  0.50000000  0.58321800  1
  Fe  Fe8  1  0.59824900  0.00000000  0.97477400  1
  Fe  Fe9  1  0.90175100  0.50000000  0.02522600  1
  Fe  Fe10  1  0.64344400  0.50000000  0.65358900  1
  Fe  Fe11  1  0.85655600  0.00000000  0.34641100  1
  Fe  Fe12  1  0.26681300  0.50000000  0.84493100  1
  Fe  Fe13  1  0.23318700  0.00000000  0.15506900  1
  Fe  Fe14  1  0.48917000  0.50000000  0.78033400  1
  Fe  Fe15  1  0.01083000  0.00000000  0.21966600  1
  Fe  Fe16  1  0.17325900  0.50000000  0.41678200  1
  Fe  Fe17  1  0.32674100  0.00000000  0.58321800  1
  Fe  Fe18  1  0.09824900  0.50000000  0.97477400  1
  Fe  Fe19  1  0.40175100  0.00000000  0.02522600  1
  Fe  Fe20  1  0.14344400  0.00000000  0.65358900  1
  Fe  Fe21  1  0.35655600  0.50000000  0.34641100  1
  N  N22  1  0.88466300  0.00000000  0.05456400  1
  N  N23  1  0.61533700  0.50000000  0.94543600  1
  N  N24  1  0.80535500  0.00000000  0.59176400  1
  N  N25  1  0.69464500  0.50000000  0.40823600  1
  N  N26  1  0.63523300  0.00000000  0.69412800  1
  N  N27  1  0.86476700  0.50000000  0.30587200  1
  N  N28  1  0.96002700  0.50000000  0.77922800  1
  N  N29  1  0.53997300  0.00000000  0.22077200  1
  N  N30  1  0.38466300  0.50000000  0.05456400  1
  N  N31  1  0.11533700  0.00000000  0.94543600  1
  N  N32  1  0.30535500  0.50000000  0.59176400  1
  N  N33  1  0.19464500  0.00000000  0.40823600  1
  N  N34  1  0.13523300  0.50000000  0.69412800  1
  N  N35  1  0.36476700  0.00000000  0.30587200  1
  N  N36  1  0.46002700  0.00000000  0.77922800  1
  N  N37  1  0.03997300  0.50000000  0.22077200  1
