# generated using pymatgen
data_Li3Fe(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61028976
_cell_length_b   6.61028976
_cell_length_c   5.91833351
_cell_angle_alpha   76.74251796
_cell_angle_beta   76.74251796
_cell_angle_gamma   25.80876846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(CuO3)2
_chemical_formula_sum   'Li3 Fe1 Cu2 O6'
_cell_volume   109.42911349
_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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.17123700  0.17123700  0.16395400  1
  Li  Li2  1  0.82876300  0.82876300  0.83604600  1
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu4  1  0.16769400  0.16769400  0.66664900  1
  Cu  Cu5  1  0.83230600  0.83230600  0.33335100  1
  O  O6  1  0.66497800  0.66497800  0.90457000  1
  O  O7  1  0.32838000  0.32838000  0.57010400  1
  O  O8  1  0.33502200  0.33502200  0.09543000  1
  O  O9  1  0.99677700  0.99677700  0.23849500  1
  O  O10  1  0.00322300  0.00322300  0.76150500  1
  O  O11  1  0.67162000  0.67162000  0.42989600  1
