# generated using pymatgen
data_Li3AlFeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06752400
_cell_length_b   5.33831400
_cell_length_c   16.22886500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3AlFeO5
_chemical_formula_sum   'Li12 Al4 Fe4 O20'
_cell_volume   439.02381287
_cell_formula_units_Z   4
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  0.00622200  0.66336400  0.60090300  1
  Li  Li1  1  0.00622200  0.16336400  0.89909700  1
  Li  Li2  1  0.50283900  0.32870500  0.00223200  1
  Li  Li3  1  0.50283900  0.82870500  0.49776800  1
  Li  Li4  1  0.49619800  0.32798400  0.79916100  1
  Li  Li5  1  0.49619800  0.82798400  0.70083900  1
  Li  Li6  1  0.50622200  0.33663600  0.39909700  1
  Li  Li7  1  0.50622200  0.83663600  0.10090300  1
  Li  Li8  1  0.00283900  0.67129500  0.99776800  1
  Li  Li9  1  0.00283900  0.17129500  0.50223200  1
  Li  Li10  1  0.99619800  0.17201600  0.29916100  1
  Li  Li11  1  0.99619800  0.67201600  0.20083900  1
  Al  Al12  1  0.99540900  0.16548800  0.70241200  1
  Al  Al13  1  0.99540900  0.66548800  0.79758800  1
  Al  Al14  1  0.49540900  0.33451200  0.20241200  1
  Al  Al15  1  0.49540900  0.83451200  0.29758800  1
  Fe  Fe16  1  0.00249100  0.16886100  0.09943300  1
  Fe  Fe17  1  0.00249100  0.66886100  0.40056700  1
  Fe  Fe18  1  0.50249100  0.33113900  0.59943300  1
  Fe  Fe19  1  0.50249100  0.83113900  0.90056700  1
  O  O20  1  0.09646000  0.34700000  0.78945800  1
  O  O21  1  0.09646000  0.84700000  0.71054200  1
  O  O22  1  0.11389700  0.35493400  0.40246300  1
  O  O23  1  0.11389700  0.85493400  0.09753700  1
  O  O24  1  0.10967100  0.30563900  0.00553100  1
  O  O25  1  0.10967100  0.80563900  0.49446900  1
  O  O26  1  0.14170100  0.32424700  0.19578300  1
  O  O27  1  0.14170100  0.82424700  0.30421700  1
  O  O28  1  0.13011300  0.30012800  0.61116700  1
  O  O29  1  0.13011300  0.80012800  0.88883300  1
  O  O30  1  0.59646000  0.65300000  0.21054200  1
  O  O31  1  0.59646000  0.15300000  0.28945800  1
  O  O32  1  0.61389700  0.64506600  0.59753700  1
  O  O33  1  0.61389700  0.14506600  0.90246300  1
  O  O34  1  0.60967100  0.19436100  0.50553100  1
  O  O35  1  0.60967100  0.69436100  0.99446900  1
  O  O36  1  0.64170100  0.17575300  0.69578300  1
  O  O37  1  0.64170100  0.67575300  0.80421700  1
  O  O38  1  0.63011300  0.19987200  0.11116700  1
  O  O39  1  0.63011300  0.69987200  0.38883300  1
