# generated using pymatgen data_Sc6Al4Tc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27506567 _cell_length_b 8.27506595 _cell_length_c 8.09496596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999891 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Al4Tc3 _chemical_formula_sum 'Sc12 Al8 Tc6' _cell_volume 480.05232340 _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 0.40304295 0.20152198 0.06190188 1.0 Sc Sc1 1 0.79847802 0.20152198 0.06190188 1.0 Sc Sc2 1 0.79847702 0.59695605 0.06190188 1.0 Sc Sc3 1 0.40304295 0.20152198 0.43809812 1.0 Sc Sc4 1 0.79847802 0.20152198 0.43809812 1.0 Sc Sc5 1 0.79847702 0.59695605 0.43809812 1.0 Sc Sc6 1 0.20152198 0.40304395 0.56190288 1.0 Sc Sc7 1 0.20152098 0.79847802 0.56190288 1.0 Sc Sc8 1 0.59695705 0.79847802 0.56190288 1.0 Sc Sc9 1 0.20152198 0.40304395 0.93809712 1.0 Sc Sc10 1 0.20152098 0.79847802 0.93809712 1.0 Sc Sc11 1 0.59695705 0.79847802 0.93809712 1.0 Al Al12 1 0.00000000 0.00000000 0.00000000 1.0 Al Al13 1 0.10181542 0.55090721 0.25000000 1.0 Al Al14 1 0.44909279 0.55090721 0.25000000 1.0 Al Al15 1 0.44909279 0.89818558 0.25000000 1.0 Al Al16 1 0.00000000 0.00000000 0.50000000 1.0 Al Al17 1 0.55090621 0.10181442 0.75000100 1.0 Al Al18 1 0.55090721 0.44909279 0.75000100 1.0 Al Al19 1 0.89818558 0.44909279 0.75000100 1.0 Tc Tc20 1 0.11907030 0.23814160 0.25000000 1.0 Tc Tc21 1 0.11906930 0.88092970 0.25000000 1.0 Tc Tc22 1 0.76185940 0.88092970 0.25000000 1.0 Tc Tc23 1 0.23814160 0.11907030 0.75000100 1.0 Tc Tc24 1 0.88092970 0.11907030 0.75000100 1.0 Tc Tc25 1 0.88092870 0.76185840 0.75000100 1.0