# generated using pymatgen data_Sc8Be3Si13Tc12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54195422 _cell_length_b 6.55590008 _cell_length_c 12.24316227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.77877838 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Be3Si13Tc12 _chemical_formula_sum 'Sc8 Be3 Si13 Tc12' _cell_volume 525.04111437 _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 0.49531943 0.33862208 0.09348817 1.0 Sc Sc1 1 0.99094022 0.16439632 0.40548691 1.0 Sc Sc2 1 0.50823691 0.66279167 0.59516630 1.0 Sc Sc3 1 0.00613356 0.83925212 0.90396664 1.0 Sc Sc4 1 0.50823691 0.66279167 0.90483370 1.0 Sc Sc5 1 0.00613356 0.83925212 0.59603336 1.0 Sc Sc6 1 0.49531943 0.33862208 0.40651183 1.0 Sc Sc7 1 0.99094022 0.16439632 0.09451309 1.0 Be Be8 1 0.53451615 0.36006397 0.75000000 1.0 Be Be9 1 0.03302830 0.14665260 0.75000000 1.0 Be Be10 1 0.47491818 0.63106861 0.25000000 1.0 Si Si11 1 0.65874705 0.04554729 0.54759399 1.0 Si Si12 1 0.15937520 0.45318737 0.95089601 1.0 Si Si13 1 0.33399472 0.95678896 0.04535817 1.0 Si Si14 1 0.84638839 0.55377471 0.45042647 1.0 Si Si15 1 0.33399472 0.95678896 0.45464183 1.0 Si Si16 1 0.84638839 0.55377471 0.04957353 1.0 Si Si17 1 0.65874705 0.04554729 0.95240601 1.0 Si Si18 1 0.15937520 0.45318737 0.54910399 1.0 Si Si19 1 0.96371001 0.85051751 0.25000000 1.0 Si Si20 1 0.80196245 0.63536807 0.75000000 1.0 Si Si21 1 0.30164020 0.86870087 0.75000000 1.0 Si Si22 1 0.20020583 0.35906200 0.25000000 1.0 Si Si23 1 0.69267545 0.13305452 0.25000000 1.0 Tc Tc24 1 0.82449556 0.34602465 0.62262618 1.0 Tc Tc25 1 0.33149339 0.15939535 0.87588737 1.0 Tc Tc26 1 0.19388210 0.64664398 0.12312964 1.0 Tc Tc27 1 0.65543153 0.84372322 0.37652516 1.0 Tc Tc28 1 0.19388210 0.64664398 0.37687036 1.0 Tc Tc29 1 0.65543153 0.84372322 0.12347484 1.0 Tc Tc30 1 0.82449556 0.34602465 0.87737382 1.0 Tc Tc31 1 0.33149339 0.15939535 0.62411263 1.0 Tc Tc32 1 0.66887523 0.98969742 0.75000000 1.0 Tc Tc33 1 0.16546842 0.51417370 0.75000000 1.0 Tc Tc34 1 0.31896413 0.00639743 0.25000000 1.0 Tc Tc35 1 0.83516050 0.48494284 0.25000000 1.0