# generated using pymatgen
data_Mn5FeN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08318524
_cell_length_b   6.62947948
_cell_length_c   4.69964580
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5FeN4
_chemical_formula_sum   'Mn10 Fe2 N8'
_cell_volume   189.52896879
_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  0.74996100  0.27325000  0.30657700  1
  Mn  Mn1  1  0.74996100  0.27325000  0.69342300  1
  Mn  Mn2  1  0.74996100  0.72675000  0.30657700  1
  Mn  Mn3  1  0.74996100  0.72675000  0.69342300  1
  Mn  Mn4  1  0.25003900  0.22675000  0.19342300  1
  Mn  Mn5  1  0.25003900  0.22675000  0.80657700  1
  Mn  Mn6  1  0.25003900  0.77325000  0.19342300  1
  Mn  Mn7  1  0.25003900  0.77325000  0.80657700  1
  Mn  Mn8  1  0.21709400  0.50000000  0.50000000  1
  Mn  Mn9  1  0.78290600  0.00000000  0.00000000  1
  Fe  Fe10  1  0.35128000  0.00000000  0.50000000  1
  Fe  Fe11  1  0.64872000  0.50000000  0.00000000  1
  N  N12  1  0.05039700  0.78273400  0.50000000  1
  N  N13  1  0.05039700  0.21726600  0.50000000  1
  N  N14  1  0.94960300  0.71726600  0.00000000  1
  N  N15  1  0.94960300  0.28273400  0.00000000  1
  N  N16  1  0.45868500  0.50000000  0.25233800  1
  N  N17  1  0.45868500  0.50000000  0.74766200  1
  N  N18  1  0.54131500  0.00000000  0.24766200  1
  N  N19  1  0.54131500  0.00000000  0.75233800  1
