# generated using pymatgen data_Sc11Tc3Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68141011 _cell_length_b 9.68141088 _cell_length_c 9.52437418 _cell_angle_alpha 60.53512932 _cell_angle_beta 60.53512672 _cell_angle_gamma 58.92973687 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc11Tc3Hg _chemical_formula_sum 'Sc22 Tc6 Hg2' _cell_volume 630.91920379 _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 0.80488951 0.80488951 0.19511049 1.0 Sc Sc1 1 0.19471484 0.80528516 0.19471484 1.0 Sc Sc2 1 0.80528516 0.19471484 0.19471484 1.0 Sc Sc3 1 0.19511049 0.19511049 0.80488951 1.0 Sc Sc4 1 0.80528516 0.19471484 0.80528516 1.0 Sc Sc5 1 0.19471484 0.80528516 0.80528516 1.0 Sc Sc6 1 0.61922753 0.61922753 0.15356727 1.0 Sc Sc7 1 0.60797468 0.15356727 0.61922753 1.0 Sc Sc8 1 0.15356727 0.60797468 0.61922753 1.0 Sc Sc9 1 0.61922753 0.61922753 0.60797468 1.0 Sc Sc10 1 0.38077247 0.38077247 0.84643273 1.0 Sc Sc11 1 0.39202532 0.84643273 0.38077247 1.0 Sc Sc12 1 0.84643273 0.39202532 0.38077247 1.0 Sc Sc13 1 0.38077247 0.38077247 0.39202532 1.0 Sc Sc14 1 0.83543179 0.83543179 0.47166418 1.0 Sc Sc15 1 0.85747025 0.47166418 0.83543179 1.0 Sc Sc16 1 0.47166418 0.85747025 0.83543179 1.0 Sc Sc17 1 0.83543179 0.83543179 0.85747025 1.0 Sc Sc18 1 0.16456821 0.16456821 0.52833582 1.0 Sc Sc19 1 0.14252975 0.52833582 0.16456821 1.0 Sc Sc20 1 0.52833582 0.14252975 0.16456821 1.0 Sc Sc21 1 0.16456821 0.16456821 0.14252975 1.0 Tc Tc22 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc23 1 0.50000000 0.50000000 0.50000000 1.0 Tc Tc24 1 0.50000000 0.00000000 0.50000000 1.0 Tc Tc25 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc26 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc27 1 0.50000000 0.00000000 0.00000000 1.0 Hg Hg28 1 0.00000000 0.00000000 0.50000000 1.0 Hg Hg29 1 0.50000000 0.50000000 0.00000000 1.0