# generated using pymatgen data_Sc7Nb13Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68536438 _cell_length_b 6.88171344 _cell_length_c 13.10629226 _cell_angle_alpha 89.86760084 _cell_angle_beta 90.10220497 _cell_angle_gamma 89.89381691 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc7Nb13Si16 _chemical_formula_sum 'Sc7 Nb13 Si16' _cell_volume 602.97445842 _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 Sc Sc0 1 0.00135306 0.82530221 0.90360777 1.0 Sc Sc1 1 0.49828926 0.32560798 0.09560022 1.0 Sc Sc2 1 0.99801401 0.17263525 0.40508067 1.0 Sc Sc3 1 0.49874453 0.32851706 0.40624096 1.0 Sc Sc4 1 0.99807003 0.17350734 0.09574413 1.0 Sc Sc5 1 0.50139610 0.67325169 0.90481269 1.0 Sc Sc6 1 0.99839732 0.82566834 0.59499651 1.0 Nb Nb7 1 0.50350089 0.67881810 0.60000110 1.0 Nb Nb8 1 0.66259503 0.17583599 0.62320260 1.0 Nb Nb9 1 0.16580565 0.32605347 0.87425215 1.0 Nb Nb10 1 0.33640937 0.82421309 0.12450459 1.0 Nb Nb11 1 0.83665898 0.67568546 0.37558087 1.0 Nb Nb12 1 0.33877271 0.82124062 0.37664908 1.0 Nb Nb13 1 0.83662564 0.67487503 0.12451069 1.0 Nb Nb14 1 0.66333035 0.17600457 0.87364591 1.0 Nb Nb15 1 0.16560884 0.32709003 0.62372207 1.0 Nb Nb16 1 0.83734707 0.49597194 0.74844090 1.0 Nb Nb17 1 0.33858473 0.00341275 0.74719228 1.0 Nb Nb18 1 0.16307194 0.50435390 0.25118011 1.0 Nb Nb19 1 0.66208397 0.99375074 0.25093497 1.0 Si Si20 1 0.66732735 0.96469733 0.46261709 1.0 Si Si21 1 0.16722253 0.53228556 0.03894830 1.0 Si Si22 1 0.33169290 0.03339350 0.96096201 1.0 Si Si23 1 0.82584210 0.46907794 0.53856854 1.0 Si Si24 1 0.33234257 0.03112159 0.53888174 1.0 Si Si25 1 0.83273166 0.46645825 0.96088044 1.0 Si Si26 1 0.66701979 0.96753363 0.03875719 1.0 Si Si27 1 0.16782734 0.53323333 0.46223789 1.0 Si Si28 1 0.46071878 0.38952738 0.74858766 1.0 Si Si29 1 0.96108617 0.11340150 0.74908731 1.0 Si Si30 1 0.54050310 0.61209158 0.24948187 1.0 Si Si31 1 0.04046169 0.88607734 0.25012148 1.0 Si Si32 1 0.70627207 0.86379519 0.75002873 1.0 Si Si33 1 0.20587385 0.63748006 0.74988982 1.0 Si Si34 1 0.29415084 0.13500865 0.25072067 1.0 Si Si35 1 0.79427080 0.36301859 0.25032799 1.0