# generated using pymatgen
data_Li3Fe2CuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68855579
_cell_length_b   6.68855579
_cell_length_c   5.96686729
_cell_angle_alpha   76.48152571
_cell_angle_beta   76.48152571
_cell_angle_gamma   25.73627572
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2CuO6
_chemical_formula_sum   'Li3 Fe2 Cu1 O6'
_cell_volume   112.53102225
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.66346800  0.66346800  0.66678900  1
  Li  Li2  1  0.33653200  0.33653200  0.33321100  1
  Fe  Fe3  1  0.66510600  0.66510600  0.16882700  1
  Fe  Fe4  1  0.33489400  0.33489400  0.83117300  1
  Cu  Cu5  1  0.00000000  0.00000000  0.50000000  1
  O  O6  1  0.16118800  0.16118800  0.40597000  1
  O  O7  1  0.82970200  0.82970200  0.07213400  1
  O  O8  1  0.83881200  0.83881200  0.59403000  1
  O  O9  1  0.49686700  0.49686700  0.73696800  1
  O  O10  1  0.50313300  0.50313300  0.26303200  1
  O  O11  1  0.17029800  0.17029800  0.92786600  1
