# generated using pymatgen data_Sc20AlTc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86525567 _cell_length_b 8.85479031 _cell_length_c 8.21737791 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.03909670 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc20AlTc5 _chemical_formula_sum 'Sc20 Al1 Tc5' _cell_volume 558.42159770 _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 0.99604219 0.99208339 0.98049853 1.0 Sc Sc1 1 0.40380139 0.20014049 0.04712764 1.0 Sc Sc2 1 0.79633910 0.20014049 0.04712764 1.0 Sc Sc3 1 0.79598908 0.59197916 0.05342677 1.0 Sc Sc4 1 0.09615948 0.55694227 0.25000000 1.0 Sc Sc5 1 0.46078279 0.55694227 0.25000000 1.0 Sc Sc6 1 0.45561796 0.91123692 0.25000000 1.0 Sc Sc7 1 0.40380139 0.20014049 0.45287236 1.0 Sc Sc8 1 0.79633910 0.20014049 0.45287236 1.0 Sc Sc9 1 0.79598908 0.59197916 0.44657323 1.0 Sc Sc10 1 0.99604219 0.99208339 0.51950147 1.0 Sc Sc11 1 0.20427488 0.40854976 0.56646708 1.0 Sc Sc12 1 0.20263845 0.79476054 0.55159458 1.0 Sc Sc13 1 0.59212109 0.79476054 0.55159458 1.0 Sc Sc14 1 0.54678017 0.09356234 0.75000100 1.0 Sc Sc15 1 0.55020574 0.45304328 0.75000100 1.0 Sc Sc16 1 0.90283854 0.45304328 0.75000100 1.0 Sc Sc17 1 0.20427488 0.40854976 0.93353292 1.0 Sc Sc18 1 0.20263845 0.79476054 0.94840542 1.0 Sc Sc19 1 0.59212109 0.79476054 0.94840542 1.0 Al Al20 1 0.10999678 0.21999455 0.25000000 1.0 Tc Tc21 1 0.11800988 0.88881842 0.25000000 1.0 Tc Tc22 1 0.77080854 0.88881842 0.25000000 1.0 Tc Tc23 1 0.24186803 0.12955997 0.75000100 1.0 Tc Tc24 1 0.88769194 0.12955997 0.75000100 1.0 Tc Tc25 1 0.87682379 0.75364958 0.75000100 1.0