# generated using pymatgen
data_Fe3Ni(Mo3N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68865405
_cell_length_b   6.69072919
_cell_length_c   6.69308740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.23892866
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni(Mo3N)2
_chemical_formula_sum   'Fe6 Ni2 Mo12 N4'
_cell_volume   299.52626155
_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
  Fe  Fe0  1  0.31970600  0.18121400  0.43102200  1
  Fe  Fe1  1  0.68029400  0.68121400  0.56897800  1
  Fe  Fe2  1  0.43092800  0.93049400  0.67758900  1
  Fe  Fe3  1  0.92872400  0.57056400  0.81691000  1
  Fe  Fe4  1  0.56907200  0.43049400  0.32241100  1
  Fe  Fe5  1  0.07127600  0.07056400  0.18309000  1
  Ni  Ni6  1  0.81744200  0.31843600  0.06796500  1
  Ni  Ni7  1  0.18255800  0.81843600  0.93203500  1
  Mo  Mo8  1  0.95234900  0.37482100  0.45174200  1
  Mo  Mo9  1  0.04765100  0.87482100  0.54825800  1
  Mo  Mo10  1  0.45085700  0.12357300  0.04642600  1
  Mo  Mo11  1  0.54914300  0.62357300  0.95357400  1
  Mo  Mo12  1  0.37543700  0.79735100  0.29853500  1
  Mo  Mo13  1  0.87583100  0.70233300  0.20116300  1
  Mo  Mo14  1  0.12416900  0.20233300  0.79883700  1
  Mo  Mo15  1  0.62456300  0.29735100  0.70146500  1
  Mo  Mo16  1  0.79803100  0.95158100  0.87506400  1
  Mo  Mo17  1  0.70268400  0.04911100  0.37395400  1
  Mo  Mo18  1  0.20196900  0.45158100  0.12493600  1
  Mo  Mo19  1  0.29731600  0.54911100  0.62604600  1
  N  N20  1  0.12512200  0.62516200  0.37433400  1
  N  N21  1  0.87487800  0.12516200  0.62566600  1
  N  N22  1  0.62465000  0.87536100  0.12473000  1
  N  N23  1  0.37535000  0.37536100  0.87527000  1
