# generated using pymatgen
data_Fe10CuN8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.04476068
_cell_length_b   3.76808244
_cell_length_c   6.04061004
_cell_angle_alpha   90.00000000
_cell_angle_beta   109.91757703
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe10CuN8
_chemical_formula_sum   'Fe20 Cu2 N16'
_cell_volume   364.75798168
_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  0.82014800  0.00000000  0.85227300  1
  Fe  Fe1  1  0.67985200  0.50000000  0.14772700  1
  Fe  Fe2  1  0.97957200  0.00000000  0.20367000  1
  Fe  Fe3  1  0.52042800  0.50000000  0.79633000  1
  Fe  Fe4  1  0.65534500  0.00000000  0.81408400  1
  Fe  Fe5  1  0.84465500  0.50000000  0.18591600  1
  Fe  Fe6  1  0.58066500  0.00000000  0.17526300  1
  Fe  Fe7  1  0.91933500  0.50000000  0.82473700  1
  Fe  Fe8  1  0.69895000  0.50000000  0.59227600  1
  Fe  Fe9  1  0.80105000  0.00000000  0.40772400  1
  Fe  Fe10  1  0.32014800  0.50000000  0.85227300  1
  Fe  Fe11  1  0.17985200  0.00000000  0.14772700  1
  Fe  Fe12  1  0.47957200  0.50000000  0.20367000  1
  Fe  Fe13  1  0.02042800  0.00000000  0.79633000  1
  Fe  Fe14  1  0.15534500  0.50000000  0.81408400  1
  Fe  Fe15  1  0.34465500  0.00000000  0.18591600  1
  Fe  Fe16  1  0.08066500  0.50000000  0.17526300  1
  Fe  Fe17  1  0.41933500  0.00000000  0.82473700  1
  Fe  Fe18  1  0.19895000  0.00000000  0.59227600  1
  Fe  Fe19  1  0.30105000  0.50000000  0.40772400  1
  Cu  Cu20  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu21  1  0.50000000  0.00000000  0.50000000  1
  N  N22  1  0.89468900  0.00000000  0.69779400  1
  N  N23  1  0.60531100  0.50000000  0.30220600  1
  N  N24  1  0.85676800  0.00000000  0.17804400  1
  N  N25  1  0.64323200  0.50000000  0.82195600  1
  N  N26  1  0.72238900  0.00000000  0.61483600  1
  N  N27  1  0.77761100  0.50000000  0.38516400  1
  N  N28  1  0.96376900  0.50000000  0.17253000  1
  N  N29  1  0.53623100  0.00000000  0.82747000  1
  N  N30  1  0.39468900  0.50000000  0.69779400  1
  N  N31  1  0.10531100  0.00000000  0.30220600  1
  N  N32  1  0.35676800  0.50000000  0.17804400  1
  N  N33  1  0.14323200  0.00000000  0.82195600  1
  N  N34  1  0.22238900  0.50000000  0.61483600  1
  N  N35  1  0.27761100  0.00000000  0.38516400  1
  N  N36  1  0.46376900  0.00000000  0.17253000  1
  N  N37  1  0.03623100  0.50000000  0.82747000  1
