# generated using pymatgen
data_Li5Fe5(CuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14537586
_cell_length_b   5.14537586
_cell_length_c   9.79151443
_cell_angle_alpha   86.78226650
_cell_angle_beta   86.78226650
_cell_angle_gamma   116.82911152
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe5(CuO6)2
_chemical_formula_sum   'Li5 Fe5 Cu2 O12'
_cell_volume   229.99279668
_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
  Li  Li0  1  0.83562700  0.65135100  0.26395000  1
  Li  Li1  1  0.67888700  0.85844400  0.73728800  1
  Li  Li2  1  0.34864900  0.16437300  0.73605000  1
  Li  Li3  1  0.14155600  0.32111300  0.26271200  1
  Li  Li4  1  0.08123400  0.91876600  0.50000000  1
  Fe  Fe5  1  0.91661200  0.08338800  0.00000000  1
  Fe  Fe6  1  0.00077900  0.50733900  0.73986600  1
  Fe  Fe7  1  0.49266100  0.99922100  0.26013400  1
  Fe  Fe8  1  0.58347700  0.41652300  0.00000000  1
  Fe  Fe9  1  0.41551600  0.58448400  0.50000000  1
  Cu  Cu10  1  0.74955000  0.25045000  0.50000000  1
  Cu  Cu11  1  0.25086000  0.74914000  0.00000000  1
  O  O12  1  0.05097400  0.23303100  0.61748700  1
  O  O13  1  0.76696900  0.94902600  0.38251300  1
  O  O14  1  0.83329300  0.33269500  0.13062400  1
  O  O15  1  0.66730500  0.16670700  0.86937600  1
  O  O16  1  0.70270300  0.53167400  0.62179000  1
  O  O17  1  0.46832600  0.29729700  0.37821000  1
  O  O18  1  0.56246400  0.73335100  0.11058300  1
  O  O19  1  0.26664900  0.43753600  0.88941700  1
  O  O20  1  0.34266100  0.82910600  0.63652600  1
  O  O21  1  0.17089400  0.65733900  0.36347400  1
  O  O22  1  0.23033200  0.05797600  0.11341900  1
  O  O23  1  0.94202400  0.76966800  0.88658100  1
