# generated using pymatgen data_Sc4Al3Tc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23181416 _cell_length_b 5.23181433 _cell_length_c 8.63226074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.39795615 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Al3Tc5 _chemical_formula_sum 'Sc4 Al3 Tc5' _cell_volume 203.80003636 _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 0.33389854 0.66610146 0.43425973 1.0 Sc Sc1 1 0.66296335 0.33703665 0.56964931 1.0 Sc Sc2 1 0.66296335 0.33703665 0.93035069 1.0 Sc Sc3 1 0.33389854 0.66610146 0.06574027 1.0 Al Al4 1 0.00805247 0.99194753 0.50005205 1.0 Al Al5 1 0.00805247 0.99194753 0.99994795 1.0 Al Al6 1 0.82982402 0.17017598 0.25000000 1.0 Tc Tc7 1 0.81649939 0.65573404 0.25000000 1.0 Tc Tc8 1 0.34426596 0.18350061 0.25000000 1.0 Tc Tc9 1 0.17364766 0.82635234 0.75000000 1.0 Tc Tc10 1 0.16895450 0.34301823 0.75000000 1.0 Tc Tc11 1 0.65698177 0.83104550 0.75000000 1.0