# generated using pymatgen data_Sc8Be3Si13W12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49769532 _cell_length_b 6.66713081 _cell_length_c 12.60209870 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.86690287 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Be3Si13W12 _chemical_formula_sum 'Sc8 Be3 Si13 W12' _cell_volume 545.93385168 _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 0.49982129 0.66930668 0.59632323 1.0 Sc Sc1 1 0.99900823 0.83078981 0.90373718 1.0 Sc Sc2 1 0.50365779 0.33337544 0.09302967 1.0 Sc Sc3 1 0.00269659 0.17250964 0.40610480 1.0 Sc Sc4 1 0.50365779 0.33337544 0.40697033 1.0 Sc Sc5 1 0.00269659 0.17250964 0.09389520 1.0 Sc Sc6 1 0.49982129 0.66930668 0.90367677 1.0 Sc Sc7 1 0.99900823 0.83078981 0.59626282 1.0 Be Be8 1 0.45763470 0.38056998 0.75000000 1.0 Be Be9 1 0.95657080 0.11845797 0.75000000 1.0 Be Be10 1 0.54108355 0.61933533 0.25000000 1.0 Si Si11 1 0.66837254 0.96278111 0.46003423 1.0 Si Si12 1 0.16736707 0.53719395 0.03994036 1.0 Si Si13 1 0.33216723 0.03834545 0.95935742 1.0 Si Si14 1 0.83211465 0.46052243 0.54196065 1.0 Si Si15 1 0.33216723 0.03834545 0.54064258 1.0 Si Si16 1 0.83211465 0.46052243 0.95803935 1.0 Si Si17 1 0.66837254 0.96278111 0.03996577 1.0 Si Si18 1 0.16736707 0.53719395 0.46005964 1.0 Si Si19 1 0.03878218 0.88154438 0.25000000 1.0 Si Si20 1 0.70814527 0.86883187 0.75000000 1.0 Si Si21 1 0.20853539 0.63028161 0.75000000 1.0 Si Si22 1 0.30093141 0.14170169 0.25000000 1.0 Si Si23 1 0.79031298 0.36825732 0.25000000 1.0 W W24 1 0.66043504 0.17297608 0.62788720 1.0 W W25 1 0.16091753 0.32547677 0.87201646 1.0 W W26 1 0.34072893 0.82648744 0.12605431 1.0 W W27 1 0.83347985 0.66753183 0.37526676 1.0 W W28 1 0.34072893 0.82648744 0.37394569 1.0 W W29 1 0.83347985 0.66753183 0.12473324 1.0 W W30 1 0.66043504 0.17297608 0.87211280 1.0 W W31 1 0.16091753 0.32547677 0.62798354 1.0 W W32 1 0.83461864 0.48838533 0.75000000 1.0 W W33 1 0.33395332 0.01105484 0.75000000 1.0 W W34 1 0.16494253 0.50399185 0.25000000 1.0 W W35 1 0.66295380 0.99299660 0.25000000 1.0