# generated using pymatgen
data_Li3Fe2(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58295400
_cell_length_b   5.69707365
_cell_length_c   6.23165968
_cell_angle_alpha   116.93651289
_cell_angle_beta   115.79939652
_cell_angle_gamma   89.91930217
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(CuO4)2
_chemical_formula_sum   'Li3 Fe2 Cu2 O8'
_cell_volume   154.28675417
_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  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe3  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu6  1  0.50000000  0.00000000  0.00000000  1
  O  O7  1  0.28632000  0.28243800  0.54815500  1
  O  O8  1  0.26081100  0.73453400  0.49150000  1
  O  O9  1  0.72177200  0.18630500  0.94378300  1
  O  O10  1  0.72814000  0.76299100  0.95534500  1
  O  O11  1  0.27186000  0.23700900  0.04465500  1
  O  O12  1  0.27822800  0.81369500  0.05621700  1
  O  O13  1  0.73918900  0.26546600  0.50850000  1
  O  O14  1  0.71368000  0.71756200  0.45184500  1
