# generated using pymatgen
data_MnFe5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89844072
_cell_length_b   6.62662513
_cell_length_c   4.61595967
_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   180.42288703
_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  0.22878800  0.00000000  0.50000000  1
  Mn  Mn1  1  0.77121200  0.50000000  0.00000000  1
  Fe  Fe2  1  0.74892400  0.23205500  0.30471300  1
  Fe  Fe3  1  0.74892400  0.23205500  0.69528700  1
  Fe  Fe4  1  0.74892400  0.76794500  0.30471300  1
  Fe  Fe5  1  0.74892400  0.76794500  0.69528700  1
  Fe  Fe6  1  0.25107600  0.26794500  0.19528700  1
  Fe  Fe7  1  0.25107600  0.26794500  0.80471300  1
  Fe  Fe8  1  0.25107600  0.73205500  0.19528700  1
  Fe  Fe9  1  0.25107600  0.73205500  0.80471300  1
  Fe  Fe10  1  0.32772600  0.50000000  0.50000000  1
  Fe  Fe11  1  0.67227400  0.00000000  0.00000000  1
  N  N12  1  0.03276700  0.72358200  0.50000000  1
  N  N13  1  0.03276700  0.27641800  0.50000000  1
  N  N14  1  0.96723300  0.77641800  0.00000000  1
  N  N15  1  0.96723300  0.22358200  0.00000000  1
  N  N16  1  0.53446000  0.50000000  0.24910200  1
  N  N17  1  0.53446000  0.50000000  0.75089800  1
  N  N18  1  0.46554000  0.00000000  0.25089800  1
  N  N19  1  0.46554000  0.00000000  0.74910200  1
