# generated using pymatgen
data_Li3Fe(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94693041
_cell_length_b   5.94693041
_cell_length_c   5.87580042
_cell_angle_alpha   61.01413645
_cell_angle_beta   61.01413645
_cell_angle_gamma   59.79202269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(CuO2)4
_chemical_formula_sum   'Li3 Fe1 Cu4 O8'
_cell_volume   148.90876218
_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  0.50000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu4  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu6  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu7  1  0.50000000  0.00000000  0.00000000  1
  O  O8  1  0.74039900  0.74039900  0.77216400  1
  O  O9  1  0.72863300  0.26163200  0.74633300  1
  O  O10  1  0.26163200  0.72863300  0.74633300  1
  O  O11  1  0.22470300  0.22470300  0.78706900  1
  O  O12  1  0.77529700  0.77529700  0.21293100  1
  O  O13  1  0.73836800  0.27136700  0.25366700  1
  O  O14  1  0.27136700  0.73836800  0.25366700  1
  O  O15  1  0.25960100  0.25960100  0.22783600  1
