# generated using pymatgen
data_FeCu(C3N4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20988702
_cell_length_b   7.20988702
_cell_length_c   7.20988702
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu(C3N4)2
_chemical_formula_sum   'Fe1 Cu1 C6 N8'
_cell_volume   265.01495319
_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  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.50000000  1.0
  C  C2  1  0.18680700  0.18680700  0.81319300  1.0
  C  C3  1  0.81319300  0.18680700  0.81319300  1.0
  C  C4  1  0.18680700  0.81319300  0.81319300  1.0
  C  C5  1  0.81319300  0.81319300  0.18680700  1.0
  C  C6  1  0.18680700  0.81319300  0.18680700  1.0
  C  C7  1  0.81319300  0.18680700  0.18680700  1.0
  N  N8  1  0.30149900  0.30149900  0.69850100  1.0
  N  N9  1  0.69850100  0.30149900  0.69850100  1.0
  N  N10  1  0.30149900  0.69850100  0.69850100  1.0
  N  N11  1  0.69850100  0.69850100  0.30149900  1.0
  N  N12  1  0.30149900  0.69850100  0.30149900  1.0
  N  N13  1  0.69850100  0.30149900  0.30149900  1.0
  N  N14  1  0.25000000  0.25000000  0.25000000  1.0
  N  N15  1  0.75000000  0.75000000  0.75000000  1.0