# generated using pymatgen data_Sc4GaSi7Tc6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59091725 _cell_length_b 6.64182068 _cell_length_c 12.41940307 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4GaSi7Tc6 _chemical_formula_sum 'Sc8 Ga2 Si14 Tc12' _cell_volume 543.66794476 _cell_formula_units_Z 2 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 0.49014984 0.33428245 0.09208355 1.0 Sc Sc1 1 0.99014984 0.16571755 0.40791645 1.0 Sc Sc2 1 0.50774987 0.67032402 0.59274557 1.0 Sc Sc3 1 0.00774987 0.82967598 0.90725443 1.0 Sc Sc4 1 0.50774987 0.67032402 0.90725443 1.0 Sc Sc5 1 0.00774987 0.82967598 0.59274557 1.0 Sc Sc6 1 0.49014984 0.33428245 0.40791645 1.0 Sc Sc7 1 0.99014984 0.16571755 0.09208355 1.0 Ga Ga8 1 0.52237183 0.35793236 0.75000000 1.0 Ga Ga9 1 0.02237183 0.14206764 0.75000000 1.0 Si Si10 1 0.66271137 0.04716106 0.54806441 1.0 Si Si11 1 0.16271137 0.45283894 0.95193559 1.0 Si Si12 1 0.34139675 0.94972724 0.05127107 1.0 Si Si13 1 0.84139675 0.55027276 0.44872893 1.0 Si Si14 1 0.34139675 0.94972724 0.44872893 1.0 Si Si15 1 0.84139675 0.55027276 0.05127107 1.0 Si Si16 1 0.66271137 0.04716106 0.95193559 1.0 Si Si17 1 0.16271137 0.45283894 0.54806441 1.0 Si Si18 1 0.47591513 0.63819441 0.25000000 1.0 Si Si19 1 0.97591513 0.86180559 0.25000000 1.0 Si Si20 1 0.80459017 0.63543089 0.75000000 1.0 Si Si21 1 0.30459017 0.86456911 0.75000000 1.0 Si Si22 1 0.19406692 0.35612364 0.25000000 1.0 Si Si23 1 0.69406692 0.14387636 0.25000000 1.0 Tc Tc24 1 0.82459117 0.35521945 0.61085037 1.0 Tc Tc25 1 0.32459117 0.14478055 0.88914963 1.0 Tc Tc26 1 0.18111767 0.64674463 0.12575258 1.0 Tc Tc27 1 0.68111767 0.85325537 0.37424742 1.0 Tc Tc28 1 0.18111767 0.64674463 0.37424742 1.0 Tc Tc29 1 0.68111767 0.85325537 0.12575258 1.0 Tc Tc30 1 0.82459117 0.35521945 0.88914963 1.0 Tc Tc31 1 0.32459117 0.14478055 0.61085037 1.0 Tc Tc32 1 0.66203025 0.97839522 0.75000000 1.0 Tc Tc33 1 0.16203025 0.52160478 0.75000000 1.0 Tc Tc34 1 0.32559134 0.01193303 0.25000000 1.0 Tc Tc35 1 0.82559134 0.48806697 0.25000000 1.0