# generated using pymatgen data_CaZr7(Si4W3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60722304 _cell_length_b 6.77049245 _cell_length_c 12.64047046 _cell_angle_alpha 89.86567659 _cell_angle_beta 90.02733656 _cell_angle_gamma 89.93708908 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZr7(Si4W3)4 _chemical_formula_sum 'Ca1 Zr7 Si16 W12' _cell_volume 565.45878907 _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 Ca Ca0 1 0.99723594 0.83447676 0.58902341 1.0 Zr Zr1 1 0.49944939 0.66860154 0.59267763 1.0 Zr Zr2 1 0.99385455 0.83053150 0.90836343 1.0 Zr Zr3 1 0.50588745 0.32939809 0.09279105 1.0 Zr Zr4 1 0.00618994 0.17327863 0.40260877 1.0 Zr Zr5 1 0.50630803 0.33176777 0.40577045 1.0 Zr Zr6 1 0.00606929 0.16740921 0.09365416 1.0 Zr Zr7 1 0.49262625 0.66859581 0.90940813 1.0 Si Si8 1 0.66454963 0.96071461 0.45532805 1.0 Si Si9 1 0.16537642 0.54129156 0.04420400 1.0 Si Si10 1 0.33256528 0.04149483 0.95794947 1.0 Si Si11 1 0.83593639 0.45733359 0.54272224 1.0 Si Si12 1 0.33842481 0.04260097 0.54198292 1.0 Si Si13 1 0.83414114 0.45792569 0.95815945 1.0 Si Si14 1 0.66539084 0.95797151 0.04334761 1.0 Si Si15 1 0.16572130 0.53899680 0.45474344 1.0 Si Si16 1 0.46487063 0.37888336 0.75115346 1.0 Si Si17 1 0.96481619 0.12411882 0.75162695 1.0 Si Si18 1 0.53286189 0.61983539 0.24877462 1.0 Si Si19 1 0.03403479 0.87660110 0.25168469 1.0 Si Si20 1 0.69998670 0.86126224 0.75019614 1.0 Si Si21 1 0.20079707 0.64027398 0.75032333 1.0 Si Si22 1 0.29937593 0.13662994 0.24924910 1.0 Si Si23 1 0.79737356 0.36178095 0.24868706 1.0 W W24 1 0.66401941 0.16955149 0.62450044 1.0 W W25 1 0.16987332 0.33820799 0.87761910 1.0 W W26 1 0.33055111 0.83541726 0.12368688 1.0 W W27 1 0.82630843 0.66035651 0.37423946 1.0 W W28 1 0.33488542 0.83546578 0.37491020 1.0 W W29 1 0.83174405 0.66438221 0.12365028 1.0 W W30 1 0.66626955 0.16435841 0.87736385 1.0 W W31 1 0.16936577 0.33440861 0.62419041 1.0 W W32 1 0.83483629 0.50348173 0.75282020 1.0 W W33 1 0.33632999 0.99600128 0.75264221 1.0 W W34 1 0.16525811 0.48839289 0.25058328 1.0 W W35 1 0.66671514 0.00820219 0.24936111 1.0