# generated using pymatgen data_Zr7Sc(Si4W3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59372190 _cell_length_b 6.75832442 _cell_length_c 12.57993847 _cell_angle_alpha 89.97599271 _cell_angle_beta 90.03055751 _cell_angle_gamma 89.97094238 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr7Sc(Si4W3)4 _chemical_formula_sum 'Zr7 Sc1 Si16 W12' _cell_volume 560.59345491 _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 Zr Zr0 1 0.49549710 0.66868479 0.59320770 1.0 Zr Zr1 1 0.99409841 0.83064312 0.90747004 1.0 Zr Zr2 1 0.50602308 0.33027577 0.09261367 1.0 Zr Zr3 1 0.00590064 0.17062223 0.40634948 1.0 Zr Zr4 1 0.50557955 0.33132790 0.40739003 1.0 Zr Zr5 1 0.00604709 0.16861649 0.09293705 1.0 Zr Zr6 1 0.49347774 0.66961864 0.90708988 1.0 Sc Sc7 1 0.99408731 0.83160812 0.59158040 1.0 Si Si8 1 0.66609914 0.95916936 0.45732944 1.0 Si Si9 1 0.16572624 0.54142530 0.04322571 1.0 Si Si10 1 0.33398075 0.04153741 0.95697621 1.0 Si Si11 1 0.83558811 0.46027808 0.54363460 1.0 Si Si12 1 0.33299330 0.03982363 0.54319767 1.0 Si Si13 1 0.83401703 0.45830099 0.95711117 1.0 Si Si14 1 0.66565961 0.95816931 0.04303131 1.0 Si Si15 1 0.16503878 0.54225721 0.45700175 1.0 Si Si16 1 0.46578675 0.37924061 0.75058982 1.0 Si Si17 1 0.96667257 0.11980920 0.74947422 1.0 Si Si18 1 0.53367496 0.62023442 0.24974774 1.0 Si Si19 1 0.03402548 0.87858945 0.25075777 1.0 Si Si20 1 0.70313907 0.86108365 0.74895204 1.0 Si Si21 1 0.19923414 0.64042103 0.74895512 1.0 Si Si22 1 0.29890408 0.13835041 0.25000695 1.0 Si Si23 1 0.79842045 0.36127698 0.24997177 1.0 W W24 1 0.66728291 0.16560642 0.62379235 1.0 W W25 1 0.16841434 0.33669371 0.87620275 1.0 W W26 1 0.33108374 0.83601243 0.12383470 1.0 W W27 1 0.82971250 0.66344377 0.37602021 1.0 W W28 1 0.33311824 0.83594871 0.37595082 1.0 W W29 1 0.83152142 0.66400232 0.12388583 1.0 W W30 1 0.66858881 0.16324028 0.87626538 1.0 W W31 1 0.16955416 0.33585395 0.62386398 1.0 W W32 1 0.83448557 0.50672322 0.75065523 1.0 W W33 1 0.33482765 0.99212469 0.75035332 1.0 W W34 1 0.16562746 0.49053722 0.25047600 1.0 W W35 1 0.66611282 0.00844719 0.25009591 1.0