# generated using pymatgen
data_Fe2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44156812
_cell_length_b   3.44156812
_cell_length_c   10.53187930
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuN2
_chemical_formula_sum   'Fe4 Cu2 N4'
_cell_volume   124.74369771
_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  0.50000000  0.00000000  0.75000000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.75000000  1
  Fe  Fe2  1  0.00000000  0.50000000  0.25000000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.25000000  1
  Cu  Cu4  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  N  N6  1  0.00000000  0.00000000  0.82565800  1
  N  N7  1  0.50000000  0.50000000  0.67434200  1
  N  N8  1  0.50000000  0.50000000  0.32565800  1
  N  N9  1  0.00000000  0.00000000  0.17434200  1
