# generated using pymatgen
data_MnFe5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62662500
_cell_length_b   5.89844100
_cell_length_c   4.61596000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe5N4
_chemical_formula_sum   'Mn2 Fe10 N8'
_cell_volume   180.42290496
_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  0.75000000  0.25000000  0.77121200  1.0
  Mn  Mn1  1  0.25000000  0.75000000  0.22878800  1.0
  Fe  Fe2  1  0.55471300  0.48205500  0.25107600  1.0
  Fe  Fe3  1  0.94528700  0.48205500  0.25107600  1.0
  Fe  Fe4  1  0.55471300  0.01794500  0.25107600  1.0
  Fe  Fe5  1  0.94528700  0.01794500  0.25107600  1.0
  Fe  Fe6  1  0.44528700  0.51794500  0.74892400  1.0
  Fe  Fe7  1  0.05471300  0.51794500  0.74892400  1.0
  Fe  Fe8  1  0.44528700  0.98205500  0.74892400  1.0
  Fe  Fe9  1  0.05471300  0.98205500  0.74892400  1.0
  Fe  Fe10  1  0.75000000  0.75000000  0.67227400  1.0
  Fe  Fe11  1  0.25000000  0.25000000  0.32772600  1.0
  N  N12  1  0.75000000  0.97358200  0.96723300  1.0
  N  N13  1  0.75000000  0.52641800  0.96723300  1.0
  N  N14  1  0.25000000  0.02641800  0.03276700  1.0
  N  N15  1  0.25000000  0.47358200  0.03276700  1.0
  N  N16  1  0.49910200  0.75000000  0.46554000  1.0
  N  N17  1  0.00089800  0.75000000  0.46554000  1.0
  N  N18  1  0.50089800  0.25000000  0.53446000  1.0
  N  N19  1  0.99910200  0.25000000  0.53446000  1.0