# generated using pymatgen
data_Mg2FeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51015974
_cell_length_b   5.51015974
_cell_length_c   6.25901935
_cell_angle_alpha   63.52887054
_cell_angle_beta   63.52887054
_cell_angle_gamma   46.07162893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeN2
_chemical_formula_sum   'Mg4 Fe2 N4'
_cell_volume   119.73814062
_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  0.32272800  0.32272800  0.59201100  1.0
  Mg  Mg1  1  0.67727200  0.67727200  0.40798900  1.0
  Mg  Mg2  1  0.96824300  0.96824300  0.75309900  1.0
  Mg  Mg3  1  0.03175700  0.03175700  0.24690100  1.0
  Fe  Fe4  1  0.63130000  0.63130000  0.87455600  1.0
  Fe  Fe5  1  0.36870000  0.36870000  0.12544400  1.0
  N  N6  1  0.81978900  0.81978900  0.60613300  1.0
  N  N7  1  0.18021100  0.18021100  0.39386700  1.0
  N  N8  1  0.52289400  0.52289400  0.21133200  1.0
  N  N9  1  0.47710600  0.47710600  0.78866800  1.0