# generated using pymatgen data_LiHf7(Si4Mo3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51741560 _cell_length_b 6.73623425 _cell_length_c 12.53768228 _cell_angle_alpha 90.04328481 _cell_angle_beta 89.91531812 _cell_angle_gamma 90.04357390 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHf7(Si4Mo3)4 _chemical_formula_sum 'Li1 Hf7 Si16 Mo12' _cell_volume 550.43891956 _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 0.97761285 0.16059743 0.08547747 1.0 Hf Hf1 1 0.00678326 0.82632827 0.90700587 1.0 Hf Hf2 1 0.50535023 0.67050595 0.90861165 1.0 Hf Hf3 1 0.00600605 0.83144869 0.59349672 1.0 Hf Hf4 1 0.50125711 0.33030333 0.09444611 1.0 Hf Hf5 1 0.99667691 0.17064750 0.40816250 1.0 Hf Hf6 1 0.49361655 0.33054202 0.40600420 1.0 Hf Hf7 1 0.50717128 0.67042010 0.59267055 1.0 Si Si8 1 0.03156898 0.12399451 0.75229975 1.0 Si Si9 1 0.97065828 0.88072718 0.24748988 1.0 Si Si10 1 0.46655102 0.62371786 0.25031879 1.0 Si Si11 1 0.53163455 0.37880370 0.75012464 1.0 Si Si12 1 0.29880708 0.86330735 0.75015761 1.0 Si Si13 1 0.70907745 0.13820620 0.24627026 1.0 Si Si14 1 0.19275836 0.35585705 0.24338723 1.0 Si Si15 1 0.79778696 0.63698484 0.75109851 1.0 Si Si16 1 0.16741939 0.46019949 0.54349629 1.0 Si Si17 1 0.83384987 0.54080144 0.45806541 1.0 Si Si18 1 0.33472587 0.95951106 0.45737380 1.0 Si Si19 1 0.84025778 0.53172021 0.04622185 1.0 Si Si20 1 0.66681026 0.04143302 0.54303049 1.0 Si Si21 1 0.16519010 0.45626986 0.95771947 1.0 Si Si22 1 0.66483924 0.03904359 0.95767563 1.0 Si Si23 1 0.32668439 0.96975542 0.04525366 1.0 Mo Mo24 1 0.16697187 0.51623380 0.75167639 1.0 Mo Mo25 1 0.83351783 0.49223188 0.25244562 1.0 Mo Mo26 1 0.33811235 0.01238676 0.25165016 1.0 Mo Mo27 1 0.66763865 0.98583330 0.75058043 1.0 Mo Mo28 1 0.32935006 0.16500726 0.62268162 1.0 Mo Mo29 1 0.67239925 0.83627370 0.37687685 1.0 Mo Mo30 1 0.17117253 0.66415371 0.37721810 1.0 Mo Mo31 1 0.66778252 0.83001701 0.12206557 1.0 Mo Mo32 1 0.83025786 0.33574885 0.62340215 1.0 Mo Mo33 1 0.33195136 0.16418191 0.87566460 1.0 Mo Mo34 1 0.82536889 0.33716359 0.87681107 1.0 Mo Mo35 1 0.17238401 0.66964118 0.12306910 1.0