# generated using pymatgen data_Sc11(TcHg)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68075021 _cell_length_b 9.68075136 _cell_length_c 9.87034132 _cell_angle_alpha 59.35001673 _cell_angle_beta 59.35001268 _cell_angle_gamma 61.29996930 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc11(TcHg)2 _chemical_formula_sum 'Sc22 Tc4 Hg4' _cell_volume 653.57478009 _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 0.80974447 0.80974447 0.19025553 1.0 Sc Sc1 1 0.19580798 0.80419202 0.19580798 1.0 Sc Sc2 1 0.80419202 0.19580798 0.19580798 1.0 Sc Sc3 1 0.19025553 0.19025553 0.80974447 1.0 Sc Sc4 1 0.80419202 0.19580798 0.80419202 1.0 Sc Sc5 1 0.19580798 0.80419202 0.80419202 1.0 Sc Sc6 1 0.61217389 0.61217389 0.15666031 1.0 Sc Sc7 1 0.61898991 0.15666031 0.61217389 1.0 Sc Sc8 1 0.15666031 0.61898991 0.61217389 1.0 Sc Sc9 1 0.61217389 0.61217389 0.61898991 1.0 Sc Sc10 1 0.38782611 0.38782611 0.84333969 1.0 Sc Sc11 1 0.38101009 0.84333969 0.38782611 1.0 Sc Sc12 1 0.84333969 0.38101009 0.38782611 1.0 Sc Sc13 1 0.38782611 0.38782611 0.38101009 1.0 Sc Sc14 1 0.85197948 0.85197948 0.47463283 1.0 Sc Sc15 1 0.82140721 0.47463283 0.85197948 1.0 Sc Sc16 1 0.47463283 0.82140721 0.85197948 1.0 Sc Sc17 1 0.85197948 0.85197948 0.82140721 1.0 Sc Sc18 1 0.14802052 0.14802052 0.52536717 1.0 Sc Sc19 1 0.17859279 0.52536717 0.14802052 1.0 Sc Sc20 1 0.52536717 0.17859279 0.14802052 1.0 Sc Sc21 1 0.14802052 0.14802052 0.17859279 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 0.00000000 0.00000000 0.50000000 1.0 Tc Tc25 1 0.50000000 0.50000000 0.00000000 1.0 Hg Hg26 1 0.50000000 0.00000000 0.50000000 1.0 Hg Hg27 1 0.00000000 0.50000000 0.50000000 1.0 Hg Hg28 1 0.00000000 0.50000000 0.00000000 1.0 Hg Hg29 1 0.50000000 0.00000000 0.00000000 1.0