# generated using pymatgen data_Sc3Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24644873 _cell_length_b 6.24644052 _cell_length_c 4.74481507 _cell_angle_alpha 89.99999926 _cell_angle_beta 90.00000021 _cell_angle_gamma 120.00052959 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Tc _chemical_formula_sum 'Sc6 Tc2' _cell_volume 160.32948332 _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 0.17189945 0.34379650 0.24999930 1.0 Sc Sc1 1 0.65620414 0.82810051 0.24999932 1.0 Sc Sc2 1 0.17189891 0.82810040 0.24999931 1.0 Sc Sc3 1 0.82810055 0.65620350 0.74999870 1.0 Sc Sc4 1 0.34379586 0.17189949 0.74999868 1.0 Sc Sc5 1 0.82810109 0.17189960 0.74999869 1.0 Tc Tc6 1 0.33333389 0.66666823 0.74999772 1.0 Tc Tc7 1 0.66666611 0.33333177 0.25000028 1.0