# generated using pymatgen data_Li2Hf6MoIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60575490 _cell_length_b 6.53453974 _cell_length_c 13.82230398 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99994532 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Hf6MoIr3 _chemical_formula_sum 'Li4 Hf12 Mo2 Ir6' _cell_volume 416.00281233 _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 0.00001232 0.50000000 0.00081333 1.0 Li Li1 1 0.49994961 0.00000000 0.16565412 1.0 Li Li2 1 0.99997462 0.50000000 0.33433500 1.0 Li Li3 1 0.50000987 0.00000000 0.49919289 1.0 Hf Hf4 1 0.50000439 0.24784715 0.99714445 1.0 Hf Hf5 1 0.50000439 0.75215285 0.99714445 1.0 Hf Hf6 1 0.99998671 0.25018977 0.16652148 1.0 Hf Hf7 1 0.99998671 0.74981023 0.16652148 1.0 Hf Hf8 1 0.49999329 0.24981148 0.33343079 1.0 Hf Hf9 1 0.49999329 0.75018852 0.33343079 1.0 Hf Hf10 1 0.00000623 0.25216051 0.50285526 1.0 Hf Hf11 1 0.00000623 0.74783949 0.50285526 1.0 Hf Hf12 1 0.50000972 0.25125425 0.66834803 1.0 Hf Hf13 1 0.50000972 0.74874575 0.66834803 1.0 Hf Hf14 1 0.00000702 0.24874257 0.83169244 1.0 Hf Hf15 1 0.00000702 0.75125743 0.83169244 1.0 Mo Mo16 1 0.00000904 0.50000000 0.66496577 1.0 Mo Mo17 1 0.50000876 0.00000000 0.83507478 1.0 Ir Ir18 1 0.00000689 0.00000000 0.00658977 1.0 Ir Ir19 1 0.49999192 0.50000000 0.16949022 1.0 Ir Ir20 1 0.99999934 0.00000000 0.33046405 1.0 Ir Ir21 1 0.50000793 0.50000000 0.49340219 1.0 Ir Ir22 1 0.00001154 0.00000000 0.66189830 1.0 Ir Ir23 1 0.50000547 0.50000000 0.83813373 1.0