# generated using pymatgen
data_Li6Fe5CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17397741
_cell_length_b   5.17397741
_cell_length_c   10.16114886
_cell_angle_alpha   89.80705411
_cell_angle_beta   89.80705411
_cell_angle_gamma   120.19936913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Fe5CuO12
_chemical_formula_sum   'Li6 Fe5 Cu1 O12'
_cell_volume   235.09132046
_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  0.98474200  0.66294900  0.27481100  1
  Li  Li1  1  0.66294900  0.98474300  0.27481100  1
  Li  Li2  1  0.69412200  0.69412200  0.72179700  1
  Li  Li3  1  0.30587800  0.30587800  0.27820300  1
  Li  Li4  1  0.33705100  0.01525700  0.72518900  1
  Li  Li5  1  0.01525700  0.33705100  0.72518900  1
  Fe  Fe6  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe7  1  0.66345500  0.33654500  0.50000000  1
  Fe  Fe8  1  0.33654500  0.66345500  0.50000000  1
  Fe  Fe9  1  0.83248600  0.16751400  0.00000000  1
  Fe  Fe10  1  0.16751400  0.83248600  0.00000000  1
  Cu  Cu11  1  0.00000000  0.00000000  0.50000000  1
  O  O12  1  0.84386500  0.84386500  0.89494700  1
  O  O13  1  0.84143800  0.51023500  0.10179700  1
  O  O14  1  0.51023500  0.84143800  0.10179700  1
  O  O15  1  0.99208700  0.32929200  0.38899100  1
  O  O16  1  0.32929200  0.99208700  0.38899100  1
  O  O17  1  0.63539700  0.63539700  0.37918300  1
  O  O18  1  0.36460300  0.36460300  0.62081700  1
  O  O19  1  0.67070800  0.00791300  0.61100900  1
  O  O20  1  0.00791300  0.67070800  0.61100900  1
  O  O21  1  0.48976500  0.15856200  0.89820300  1
  O  O22  1  0.15856200  0.48976500  0.89820300  1
  O  O23  1  0.15613500  0.15613500  0.10505300  1
