# generated using pymatgen
data_MgFe5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26489600
_cell_length_b   6.04420900
_cell_length_c   4.53888300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe5N4
_chemical_formula_sum   'Mg2 Fe10 N8'
_cell_volume   199.30484795
_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
  Mg  Mg0  1  0.75000000  0.25000000  0.72371200  1.0
  Mg  Mg1  1  0.25000000  0.75000000  0.27628800  1.0
  Fe  Fe2  1  0.57446400  0.46641700  0.25371300  1.0
  Fe  Fe3  1  0.92553600  0.46641700  0.25371300  1.0
  Fe  Fe4  1  0.57446400  0.03358300  0.25371300  1.0
  Fe  Fe5  1  0.92553600  0.03358300  0.25371300  1.0
  Fe  Fe6  1  0.42553600  0.53358300  0.74628700  1.0
  Fe  Fe7  1  0.07446400  0.53358300  0.74628700  1.0
  Fe  Fe8  1  0.42553600  0.96641700  0.74628700  1.0
  Fe  Fe9  1  0.07446400  0.96641700  0.74628700  1.0
  Fe  Fe10  1  0.75000000  0.75000000  0.68791300  1.0
  Fe  Fe11  1  0.25000000  0.25000000  0.31208700  1.0
  N  N12  1  0.75000000  0.96600700  0.97919000  1.0
  N  N13  1  0.75000000  0.53399300  0.97919000  1.0
  N  N14  1  0.25000000  0.03399300  0.02081000  1.0
  N  N15  1  0.25000000  0.46600700  0.02081000  1.0
  N  N16  1  0.52621100  0.75000000  0.45563100  1.0
  N  N17  1  0.97378900  0.75000000  0.45563100  1.0
  N  N18  1  0.47378900  0.25000000  0.54436900  1.0
  N  N19  1  0.02621100  0.25000000  0.54436900  1.0