# generated using pymatgen
data_Li2Fe2CuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59957900
_cell_length_b   6.68698143
_cell_length_c   8.47756919
_cell_angle_alpha   71.49498092
_cell_angle_beta   70.89368715
_cell_angle_gamma   83.63602726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2CuO6
_chemical_formula_sum   'Li6 Fe6 Cu3 O18'
_cell_volume   335.22794494
_cell_formula_units_Z   3
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  0.00896200  0.33404200  0.16447900  1
  Li  Li1  1  0.01400000  0.66365900  0.83159200  1
  Li  Li2  1  0.33350700  0.99714000  0.16909900  1
  Li  Li3  1  0.33083400  0.67253600  0.49685400  1
  Li  Li4  1  0.65745600  0.33121400  0.50157600  1
  Li  Li5  1  0.65161100  0.00637100  0.83657400  1
  Fe  Fe6  1  0.99695600  0.66866500  0.33470200  1
  Fe  Fe7  1  0.00044000  0.32838700  0.66595500  1
  Fe  Fe8  1  0.66555400  0.33725400  0.00044400  1
  Fe  Fe9  1  0.66878100  0.99576200  0.33132700  1
  Fe  Fe10  1  0.99964600  0.00366600  0.99871700  1
  Fe  Fe11  1  0.67007700  0.66571200  0.66801400  1
  Cu  Cu12  1  0.33271200  0.33139600  0.33271300  1
  Cu  Cu13  1  0.33148200  0.00079100  0.66582500  1
  Cu  Cu14  1  0.33600700  0.66758600  0.00118500  1
  O  O15  1  0.03337100  0.67412800  0.07740600  1
  O  O16  1  0.01623500  0.35034500  0.41215800  1
  O  O17  1  0.02412200  0.00776400  0.75545700  1
  O  O18  1  0.34093400  0.34991000  0.10228200  1
  O  O19  1  0.35622700  0.00320100  0.41353800  1
  O  O20  1  0.67487400  0.01949700  0.08117200  1
  O  O21  1  0.31135000  0.65973700  0.24974000  1
  O  O22  1  0.32558900  0.31098700  0.56394500  1
  O  O23  1  0.64919300  0.31403600  0.25403200  1
  O  O24  1  0.34267300  0.69749200  0.74942500  1
  O  O25  1  0.67551900  0.67655000  0.42848300  1
  O  O26  1  0.68173300  0.34171400  0.75060500  1
  O  O27  1  0.32412700  0.97650200  0.92110300  1
  O  O28  1  0.63479500  0.99362600  0.58911800  1
  O  O29  1  0.64219700  0.65873000  0.91261500  1
  O  O30  1  0.98903900  0.98885600  0.24022700  1
  O  O31  1  0.99518900  0.64581900  0.58428800  1
  O  O32  1  0.98480900  0.32692100  0.91535300  1
