# generated using pymatgen
data_MgFeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66883600
_cell_length_b   3.52211000
_cell_length_c   5.58735600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFeN
_chemical_formula_sum   'Mg4 Fe4 N4'
_cell_volume   150.91718964
_cell_formula_units_Z   4
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  0.67931700  0.25000000  0.41549400  1.0
  Mg  Mg1  1  0.17931700  0.25000000  0.08450600  1.0
  Mg  Mg2  1  0.32068300  0.75000000  0.58450600  1.0
  Mg  Mg3  1  0.82068300  0.75000000  0.91549400  1.0
  Fe  Fe4  1  0.53859700  0.25000000  0.86085900  1.0
  Fe  Fe5  1  0.03859700  0.25000000  0.63914100  1.0
  Fe  Fe6  1  0.46140300  0.75000000  0.13914100  1.0
  Fe  Fe7  1  0.96140300  0.75000000  0.36085900  1.0
  N  N8  1  0.94942400  0.25000000  0.30323500  1.0
  N  N9  1  0.44942400  0.25000000  0.19676500  1.0
  N  N10  1  0.05057600  0.75000000  0.69676500  1.0
  N  N11  1  0.55057600  0.75000000  0.80323500  1.0