# generated using pymatgen data_ZrSc7(Nb3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70317649 _cell_length_b 6.90804880 _cell_length_c 13.12908608 _cell_angle_alpha 89.96984949 _cell_angle_beta 90.06094288 _cell_angle_gamma 89.98003796 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc7(Nb3Si4)4 _chemical_formula_sum 'Zr1 Sc7 Nb12 Si16' _cell_volume 607.95329238 _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 0.50363039 0.67512364 0.59724403 1.0 Sc Sc1 1 0.00205408 0.82600146 0.90439889 1.0 Sc Sc2 1 0.49788047 0.32581937 0.09603542 1.0 Sc Sc3 1 0.99843250 0.17365049 0.40401750 1.0 Sc Sc4 1 0.49856351 0.32693318 0.40421616 1.0 Sc Sc5 1 0.99778674 0.17389789 0.09606690 1.0 Sc Sc6 1 0.50191811 0.67367934 0.90427935 1.0 Sc Sc7 1 0.00034630 0.82586221 0.59551879 1.0 Nb Nb8 1 0.66236413 0.17537208 0.62423921 1.0 Nb Nb9 1 0.16367039 0.32393857 0.87500842 1.0 Nb Nb10 1 0.33637245 0.82409621 0.12475012 1.0 Nb Nb11 1 0.83649527 0.67574307 0.37523908 1.0 Nb Nb12 1 0.33743203 0.82309682 0.37544542 1.0 Nb Nb13 1 0.83684034 0.67587897 0.12474539 1.0 Nb Nb14 1 0.66349644 0.17600757 0.87466891 1.0 Nb Nb15 1 0.16451558 0.32575924 0.62457380 1.0 Nb Nb16 1 0.83706837 0.49507370 0.74954606 1.0 Nb Nb17 1 0.33772046 0.00404428 0.74897858 1.0 Nb Nb18 1 0.16253570 0.50496003 0.25028535 1.0 Nb Nb19 1 0.66212435 0.99446620 0.25019296 1.0 Si Si20 1 0.66744376 0.96786818 0.46072778 1.0 Si Si21 1 0.16723227 0.53225116 0.03918155 1.0 Si Si22 1 0.33254569 0.03281015 0.96113574 1.0 Si Si23 1 0.83231831 0.46598238 0.53836094 1.0 Si Si24 1 0.33111064 0.03387719 0.53839614 1.0 Si Si25 1 0.83261517 0.46711235 0.96112943 1.0 Si Si26 1 0.66701772 0.96771424 0.03925244 1.0 Si Si27 1 0.16842558 0.53258295 0.46102955 1.0 Si Si28 1 0.45976541 0.38675032 0.75027258 1.0 Si Si29 1 0.96052090 0.11364340 0.74951343 1.0 Si Si30 1 0.54019145 0.61266803 0.24958653 1.0 Si Si31 1 0.04011051 0.88674628 0.24999307 1.0 Si Si32 1 0.70678259 0.86553293 0.75101253 1.0 Si Si33 1 0.20432735 0.63556682 0.75086562 1.0 Si Si34 1 0.29410329 0.13533335 0.25000922 1.0 Si Si35 1 0.79424273 0.36415394 0.25008416 1.0