# generated using pymatgen
data_Li2Fe(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61089869
_cell_length_b   6.61089869
_cell_length_c   5.96854575
_cell_angle_alpha   75.66671681
_cell_angle_beta   75.66671681
_cell_angle_gamma   25.92134683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe(CuO3)2
_chemical_formula_sum   'Li2 Fe1 Cu2 O6'
_cell_volume   110.28621446
_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  0.83573600  0.83573600  0.81936600  1
  Li  Li1  1  0.16426400  0.16426400  0.18063400  1
  Fe  Fe2  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu3  1  0.83598800  0.83598800  0.33749000  1
  Cu  Cu4  1  0.16401200  0.16401200  0.66251000  1
  O  O5  1  0.66405000  0.66405000  0.90021800  1
  O  O6  1  0.99498000  0.99498000  0.22140500  1
  O  O7  1  0.32165700  0.32165700  0.57263700  1
  O  O8  1  0.00502000  0.00502000  0.77859500  1
  O  O9  1  0.33595000  0.33595000  0.09978200  1
  O  O10  1  0.67834300  0.67834300  0.42736300  1
