# generated using pymatgen data_LiHf3(ScIr3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40364062 _cell_length_b 6.76756661 _cell_length_c 13.18427009 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99999117 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHf3(ScIr3)2 _chemical_formula_sum 'Li2 Hf6 Sc4 Ir12' _cell_volume 392.91671034 _cell_formula_units_Z 2 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 0.99999789 0.50000000 0.00072342 1.0 Li Li1 1 0.49999510 0.00000000 0.16600138 1.0 Hf Hf2 1 0.99999739 0.00000000 0.01140438 1.0 Hf Hf3 1 0.49999873 0.50000000 0.15523478 1.0 Hf Hf4 1 0.00000049 0.00000000 0.31867201 1.0 Hf Hf5 1 0.50000228 0.50000000 0.49741141 1.0 Hf Hf6 1 0.00000189 0.00000000 0.66925460 1.0 Hf Hf7 1 0.50000037 0.50000000 0.84800301 1.0 Sc Sc8 1 0.00000109 0.50000000 0.32694496 1.0 Sc Sc9 1 0.50000175 0.00000000 0.49536577 1.0 Sc Sc10 1 0.00000313 0.50000000 0.67131115 1.0 Sc Sc11 1 0.49999952 0.00000000 0.83969538 1.0 Ir Ir12 1 0.49999737 0.24385075 0.00126809 1.0 Ir Ir13 1 0.49999737 0.75614925 0.00126809 1.0 Ir Ir14 1 0.99999772 0.25612167 0.16537988 1.0 Ir Ir15 1 0.99999772 0.74387733 0.16537988 1.0 Ir Ir16 1 0.50000055 0.25223585 0.33140353 1.0 Ir Ir17 1 0.50000055 0.74776415 0.33140353 1.0 Ir Ir18 1 0.00000205 0.24866310 0.49909430 1.0 Ir Ir19 1 0.00000205 0.75133590 0.49909430 1.0 Ir Ir20 1 0.50000261 0.25134741 0.66757927 1.0 Ir Ir21 1 0.50000261 0.74865259 0.66757927 1.0 Ir Ir22 1 0.99999988 0.24776915 0.83526230 1.0 Ir Ir23 1 0.99999988 0.75222985 0.83526230 1.0