# generated using pymatgen
data_Fe2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06659277
_cell_length_b   6.06659252
_cell_length_c   23.59771934
_cell_angle_alpha   61.00515205
_cell_angle_beta   61.00515323
_cell_angle_gamma   58.81938126
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuO4
_chemical_formula_sum   'Fe16 Cu8 O32'
_cell_volume   617.36575348
_cell_formula_units_Z   8
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  0.99948300  0.99948300  0.00080400  1.0
  Fe  Fe1  1  0.00819700  0.00819700  0.24791200  1.0
  Fe  Fe2  1  0.13001000  0.62113800  0.15682600  1.0
  Fe  Fe3  1  0.61912000  0.61912000  0.03475400  1.0
  Fe  Fe4  1  0.01967000  0.01967000  0.49419400  1.0
  Fe  Fe5  1  0.62113800  0.13001000  0.15682600  1.0
  Fe  Fe6  1  0.13166100  0.63411100  0.40504000  1.0
  Fe  Fe7  1  0.01174100  0.01174100  0.74742700  1.0
  Fe  Fe8  1  0.62721400  0.62721400  0.28140200  1.0
  Fe  Fe9  1  0.23597400  0.23597400  0.56617000  1.0
  Fe  Fe10  1  0.63411100  0.13166100  0.40504000  1.0
  Fe  Fe11  1  0.12746800  0.62651800  0.65505100  1.0
  Fe  Fe12  1  0.23274500  0.23274500  0.81517300  1.0
  Fe  Fe13  1  0.62651800  0.12746800  0.65505100  1.0
  Fe  Fe14  1  0.12291600  0.61407000  0.90670200  1.0
  Fe  Fe15  1  0.61407000  0.12291600  0.90670200  1.0
  Cu  Cu16  1  0.24377100  0.24377100  0.06402000  1.0
  Cu  Cu17  1  0.24633800  0.24633800  0.31502000  1.0
  Cu  Cu18  1  0.62022600  0.62022600  0.15745200  1.0
  Cu  Cu19  1  0.62999800  0.62999800  0.40408300  1.0
  Cu  Cu20  1  0.62757500  0.62757500  0.52961900  1.0
  Cu  Cu21  1  0.62519900  0.62519900  0.65684700  1.0
  Cu  Cu22  1  0.62255200  0.62255200  0.78181200  1.0
  Cu  Cu23  1  0.61715400  0.61715400  0.90749500  1.0
  O  O24  1  0.38638000  0.38638000  0.09525200  1.0
  O  O25  1  0.38031600  0.38031600  0.21334700  1.0
  O  O26  1  0.37286900  0.84168900  0.09848200  1.0
  O  O27  1  0.84168900  0.37286900  0.09848200  1.0
  O  O28  1  0.39856300  0.87636700  0.21656100  1.0
  O  O29  1  0.39535400  0.39535400  0.34355000  1.0
  O  O30  1  0.36265000  0.36265000  0.46865900  1.0
  O  O31  1  0.39125400  0.84672200  0.34734700  1.0
  O  O32  1  0.87084700  0.87084700  0.09854600  1.0
  O  O33  1  0.87636700  0.39856300  0.21656100  1.0
  O  O34  1  0.84672200  0.39125400  0.34734700  1.0
  O  O35  1  0.86531600  0.86531600  0.21946900  1.0
  O  O36  1  0.41711600  0.87696700  0.46157000  1.0
  O  O37  1  0.35889400  0.35889400  0.60165500  1.0
  O  O38  1  0.36267600  0.36267600  0.71729700  1.0
  O  O39  1  0.38227000  0.83965000  0.59642800  1.0
  O  O40  1  0.89483400  0.89483400  0.34397100  1.0
  O  O41  1  0.87696700  0.41711600  0.46157000  1.0
  O  O42  1  0.83965000  0.38227000  0.59642800  1.0
  O  O43  1  0.89577100  0.89577100  0.45984500  1.0
  O  O44  1  0.40671000  0.86744400  0.71606500  1.0
  O  O45  1  0.35754400  0.35754400  0.85071900  1.0
  O  O46  1  0.37229400  0.37229400  0.96300200  1.0
  O  O47  1  0.37121100  0.84038900  0.84753600  1.0
  O  O48  1  0.88944500  0.88944500  0.59333700  1.0
  O  O49  1  0.86744400  0.40671000  0.71606500  1.0
  O  O50  1  0.88761400  0.88761400  0.71131400  1.0
  O  O51  1  0.84038900  0.37121100  0.84753600  1.0
  O  O52  1  0.39477300  0.86457500  0.96737600  1.0
  O  O53  1  0.86457500  0.39477300  0.96737600  1.0
  O  O54  1  0.87632800  0.87632800  0.84668100  1.0
  O  O55  1  0.86032100  0.86032100  0.96920400  1.0