# generated using pymatgen
data_FeCuC5N6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48948519
_cell_length_b   7.48948519
_cell_length_c   7.48948519
_cell_angle_alpha   123.11382233
_cell_angle_beta   123.11382233
_cell_angle_gamma   84.68633402
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuC5N6O
_chemical_formula_sum   'Fe1 Cu1 C5 N6 O1'
_cell_volume   281.75265156
_cell_formula_units_Z   1
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  0.99745400  0.99745400  0.00000000  1.0
  Cu  Cu1  1  0.47576100  0.47576100  0.00000000  1.0
  C  C2  1  0.17288600  0.17288600  0.00000000  1.0
  C  C3  1  0.81563600  0.19866100  0.00000000  1.0
  C  C4  1  0.81563600  0.81563600  0.61697500  1.0
  C  C5  1  0.19866100  0.19866100  0.38302500  1.0
  C  C6  1  0.19866100  0.81563600  0.00000000  1.0
  N  N7  1  0.30930600  0.69545100  0.00000000  1.0
  N  N8  1  0.27844600  0.27844600  0.00000000  1.0
  N  N9  1  0.69545100  0.69545100  0.38614400  1.0
  N  N10  1  0.30930600  0.30930600  0.61385600  1.0
  N  N11  1  0.84742600  0.84742600  0.00000000  1.0
  N  N12  1  0.69545100  0.30930600  0.00000000  1.0
  O  O13  1  0.74372000  0.74372000  0.00000000  1.0