# generated using pymatgen data_LiZr7(Si4Mo3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56429609 _cell_length_b 6.75182785 _cell_length_c 12.61207905 _cell_angle_alpha 90.04298154 _cell_angle_beta 89.93579640 _cell_angle_gamma 90.04478827 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZr7(Si4Mo3)4 _chemical_formula_sum 'Li1 Zr7 Si16 Mo12' _cell_volume 558.97924075 _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 0.97768653 0.16299048 0.08574240 1.0 Zr Zr1 1 0.00514148 0.82787657 0.90668546 1.0 Zr Zr2 1 0.50364590 0.66997569 0.90792361 1.0 Zr Zr3 1 0.00429797 0.83173286 0.59437171 1.0 Zr Zr4 1 0.50264792 0.33040442 0.09559434 1.0 Zr Zr5 1 0.99786022 0.16994920 0.40774223 1.0 Zr Zr6 1 0.49500515 0.33049328 0.40478088 1.0 Zr Zr7 1 0.50552405 0.66973626 0.59359806 1.0 Si Si8 1 0.03335453 0.12645864 0.75231250 1.0 Si Si9 1 0.96952968 0.87908352 0.24725363 1.0 Si Si10 1 0.46493594 0.62556089 0.25013751 1.0 Si Si11 1 0.53360055 0.37575988 0.75026080 1.0 Si Si12 1 0.29885565 0.86512735 0.75028737 1.0 Si Si13 1 0.71012126 0.13606831 0.24592321 1.0 Si Si14 1 0.19235287 0.35714493 0.24313579 1.0 Si Si15 1 0.79794264 0.63490401 0.75137070 1.0 Si Si16 1 0.16618192 0.45896452 0.54341212 1.0 Si Si17 1 0.83502348 0.54198412 0.45801165 1.0 Si Si18 1 0.33597281 0.95801369 0.45723834 1.0 Si Si19 1 0.84135218 0.53267835 0.04625196 1.0 Si Si20 1 0.66536830 0.04251223 0.54290390 1.0 Si Si21 1 0.16375702 0.45484206 0.95802746 1.0 Si Si22 1 0.66363905 0.04053169 0.95802963 1.0 Si Si23 1 0.32764222 0.96873645 0.04524022 1.0 Mo Mo24 1 0.16679140 0.51340449 0.75189301 1.0 Mo Mo25 1 0.83447372 0.49459222 0.25204435 1.0 Mo Mo26 1 0.33825659 0.00990231 0.25126323 1.0 Mo Mo27 1 0.66734233 0.98855343 0.75090740 1.0 Mo Mo28 1 0.33104828 0.16527560 0.62310373 1.0 Mo Mo29 1 0.67060811 0.83599672 0.37599725 1.0 Mo Mo30 1 0.16928622 0.66445869 0.37655099 1.0 Mo Mo31 1 0.66670069 0.83013669 0.12248505 1.0 Mo Mo32 1 0.83205347 0.33500941 0.62393476 1.0 Mo Mo33 1 0.33334487 0.16461669 0.87538190 1.0 Mo Mo34 1 0.82763071 0.33630309 0.87666258 1.0 Mo Mo35 1 0.17102734 0.67021827 0.12353928 1.0