# generated using pymatgen data_Sc6Zn23Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78771694 _cell_length_b 8.78771656 _cell_length_c 8.78771730 _cell_angle_alpha 60.00000083 _cell_angle_beta 60.00000226 _cell_angle_gamma 60.00000008 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Zn23Hg _chemical_formula_sum 'Sc6 Zn23 Hg1' _cell_volume 479.85849769 _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 0.74271449 0.25728551 0.25728551 1.0 Sc Sc1 1 0.74271449 0.25728551 0.74271449 1.0 Sc Sc2 1 0.74271449 0.74271449 0.25728551 1.0 Sc Sc3 1 0.25728551 0.74271449 0.74271449 1.0 Sc Sc4 1 0.25728551 0.74271449 0.25728551 1.0 Sc Sc5 1 0.25728551 0.25728551 0.74271449 1.0 Zn Zn6 1 0.59939953 0.13353382 0.13353382 1.0 Zn Zn7 1 0.13353382 0.59939953 0.13353382 1.0 Zn Zn8 1 0.13353382 0.13353382 0.59939953 1.0 Zn Zn9 1 0.13353382 0.13353382 0.13353382 1.0 Zn Zn10 1 0.40060047 0.86646618 0.86646618 1.0 Zn Zn11 1 0.86646618 0.40060047 0.86646618 1.0 Zn Zn12 1 0.86646618 0.86646618 0.40060047 1.0 Zn Zn13 1 0.86646618 0.86646618 0.86646618 1.0 Zn Zn14 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn15 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn16 1 0.50000000 0.50000000 0.00000000 1.0 Zn Zn17 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn18 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn19 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn20 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn21 1 0.93895250 0.35368183 0.35368183 1.0 Zn Zn22 1 0.35368183 0.93895250 0.35368183 1.0 Zn Zn23 1 0.35368183 0.35368183 0.93895250 1.0 Zn Zn24 1 0.35368183 0.35368183 0.35368183 1.0 Zn Zn25 1 0.06104750 0.64631817 0.64631817 1.0 Zn Zn26 1 0.64631817 0.06104750 0.64631817 1.0 Zn Zn27 1 0.64631817 0.64631817 0.06104750 1.0 Zn Zn28 1 0.64631817 0.64631817 0.64631817 1.0 Hg Hg29 1 0.50000000 0.50000000 0.50000000 1.0