# generated using pymatgen
data_Fe2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05186412
_cell_length_b   6.05186412
_cell_length_c   14.70938749
_cell_angle_alpha   87.92009041
_cell_angle_beta   87.92009041
_cell_angle_gamma   59.09715077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuO4
_chemical_formula_sum   'Fe12 Cu6 O24'
_cell_volume   461.85097309
_cell_formula_units_Z   6
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  0.00252800  0.00252800  0.99997100  1.0
  Fe  Fe1  1  0.33877500  0.83992000  0.79145300  1.0
  Fe  Fe2  1  0.83992000  0.33877500  0.79145300  1.0
  Fe  Fe3  1  0.66704500  0.66704500  0.95462200  1.0
  Fe  Fe4  1  0.65737700  0.65737700  0.57883700  1.0
  Fe  Fe5  1  0.66611400  0.16685800  0.45911300  1.0
  Fe  Fe6  1  0.16685800  0.66611400  0.45911300  1.0
  Fe  Fe7  1  0.98707800  0.98707800  0.24790100  1.0
  Fe  Fe8  1  0.34522700  0.34522700  0.67222100  1.0
  Fe  Fe9  1  0.00029200  0.49094600  0.12519400  1.0
  Fe  Fe10  1  0.49094600  0.00029200  0.12519400  1.0
  Fe  Fe11  1  0.67507100  0.67507100  0.33613000  1.0
  Cu  Cu12  1  0.33201100  0.33201100  0.91569600  1.0
  Cu  Cu13  1  0.83526800  0.83526800  0.79044400  1.0
  Cu  Cu14  1  0.00236900  0.00236900  0.62585600  1.0
  Cu  Cu15  1  0.16665400  0.16665400  0.45873600  1.0
  Cu  Cu16  1  0.33035900  0.33035900  0.29224400  1.0
  Cu  Cu17  1  0.49570500  0.49570500  0.12588600  1.0
  O  O18  1  0.51738600  0.51738600  0.87150700  1.0
  O  O19  1  0.51323500  0.97323500  0.87035500  1.0
  O  O20  1  0.66322600  0.66322600  0.70957800  1.0
  O  O21  1  0.97323500  0.51323500  0.87035500  1.0
  O  O22  1  0.69705100  0.16454900  0.71185400  1.0
  O  O23  1  0.82921200  0.82921200  0.53072100  1.0
  O  O24  1  0.16454900  0.69705100  0.71185400  1.0
  O  O25  1  0.00695100  0.00695100  0.87025600  1.0
  O  O26  1  0.84564200  0.30381300  0.53831900  1.0
  O  O27  1  0.98734700  0.98734700  0.37830200  1.0
  O  O28  1  0.30381300  0.84564200  0.53831900  1.0
  O  O29  1  0.17256800  0.17256800  0.71751600  1.0
  O  O30  1  0.02750600  0.48852200  0.37840400  1.0
  O  O31  1  0.15795200  0.15795200  0.19826900  1.0
  O  O32  1  0.48852200  0.02750600  0.37840400  1.0
  O  O33  1  0.34675600  0.34675600  0.54010200  1.0
  O  O34  1  0.16544600  0.63731500  0.20665800  1.0
  O  O35  1  0.33038200  0.33038200  0.05208900  1.0
  O  O36  1  0.63731500  0.16544600  0.20665800  1.0
  O  O37  1  0.50441500  0.50441500  0.38625700  1.0
  O  O38  1  0.35311400  0.82568600  0.04339200  1.0
  O  O39  1  0.66728500  0.66728500  0.20350500  1.0
  O  O40  1  0.82568600  0.35311400  0.04339200  1.0
  O  O41  1  0.82179500  0.82179500  0.04386900  1.0