# generated using pymatgen data_ZrSc7(Ta3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67210861 _cell_length_b 6.86635356 _cell_length_c 13.05048147 _cell_angle_alpha 89.96636826 _cell_angle_beta 90.05859276 _cell_angle_gamma 89.97351420 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc7(Ta3Si4)4 _chemical_formula_sum 'Zr1 Sc7 Ta12 Si16' _cell_volume 597.88196792 _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 0.50142893 0.67389443 0.59677847 1.0 Sc Sc1 1 0.00050853 0.82724360 0.90463235 1.0 Sc Sc2 1 0.49935553 0.32680358 0.09576135 1.0 Sc Sc3 1 0.99980524 0.17259605 0.40429856 1.0 Sc Sc4 1 0.50001380 0.32786002 0.40443113 1.0 Sc Sc5 1 0.99923500 0.17276903 0.09576217 1.0 Sc Sc6 1 0.50047422 0.67255765 0.90455520 1.0 Sc Sc7 1 0.99882452 0.82683129 0.59533641 1.0 Ta Ta8 1 0.66169730 0.17578879 0.62419950 1.0 Ta Ta9 1 0.16298305 0.32367192 0.87504409 1.0 Ta Ta10 1 0.33679422 0.82382718 0.12472193 1.0 Ta Ta11 1 0.83677764 0.67587108 0.37522626 1.0 Ta Ta12 1 0.33819467 0.82287787 0.37553135 1.0 Ta Ta13 1 0.83741495 0.67610547 0.12471045 1.0 Ta Ta14 1 0.66307179 0.17614853 0.87472966 1.0 Ta Ta15 1 0.16426770 0.32590867 0.62462067 1.0 Ta Ta16 1 0.83635404 0.49421852 0.74960448 1.0 Ta Ta17 1 0.33700741 0.00498503 0.74896286 1.0 Ta Ta18 1 0.16339849 0.50589079 0.25029172 1.0 Ta Ta19 1 0.66298383 0.99353407 0.25023553 1.0 Si Si20 1 0.66859312 0.96822086 0.46063818 1.0 Si Si21 1 0.16824614 0.53199255 0.03922266 1.0 Si Si22 1 0.33158085 0.03250619 0.96100056 1.0 Si Si23 1 0.83176240 0.46609632 0.53847578 1.0 Si Si24 1 0.32999822 0.03388897 0.53846891 1.0 Si Si25 1 0.83165870 0.46743562 0.96096434 1.0 Si Si26 1 0.66804756 0.96792867 0.03933699 1.0 Si Si27 1 0.16902636 0.53227331 0.46076571 1.0 Si Si28 1 0.45909425 0.38664102 0.75049918 1.0 Si Si29 1 0.95988714 0.11363912 0.74935508 1.0 Si Si30 1 0.54087400 0.61264902 0.24956457 1.0 Si Si31 1 0.04086843 0.88668009 0.25008024 1.0 Si Si32 1 0.70520166 0.86494835 0.75114548 1.0 Si Si33 1 0.20239806 0.63632171 0.75102846 1.0 Si Si34 1 0.29599703 0.13594587 0.24997678 1.0 Si Si35 1 0.79617823 0.36344674 0.25004296 1.0