# generated using pymatgen data_Sc10NiHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01386352 _cell_length_b 9.01386371 _cell_length_c 8.78610342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999566 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc10NiHg3 _chemical_formula_sum 'Sc20 Ni2 Hg6' _cell_volume 618.22836537 _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 0.00000000 0.00000000 0.50000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc2 1 0.54187529 0.45812471 0.25000000 1.0 Sc Sc3 1 0.54187529 0.08375057 0.25000000 1.0 Sc Sc4 1 0.91624943 0.45812471 0.25000000 1.0 Sc Sc5 1 0.45812471 0.54187529 0.75000000 1.0 Sc Sc6 1 0.45812471 0.91624943 0.75000000 1.0 Sc Sc7 1 0.08375057 0.54187529 0.75000000 1.0 Sc Sc8 1 0.20880473 0.79119527 0.43540013 1.0 Sc Sc9 1 0.20880473 0.41761145 0.43540013 1.0 Sc Sc10 1 0.58238855 0.79119527 0.43540013 1.0 Sc Sc11 1 0.79119527 0.20880473 0.56459987 1.0 Sc Sc12 1 0.79119527 0.58238855 0.56459987 1.0 Sc Sc13 1 0.41761145 0.20880473 0.56459987 1.0 Sc Sc14 1 0.79119527 0.20880473 0.93540013 1.0 Sc Sc15 1 0.79119527 0.58238855 0.93540013 1.0 Sc Sc16 1 0.41761145 0.20880473 0.93540013 1.0 Sc Sc17 1 0.20880473 0.79119527 0.06459987 1.0 Sc Sc18 1 0.20880473 0.41761145 0.06459987 1.0 Sc Sc19 1 0.58238855 0.79119527 0.06459987 1.0 Ni Ni20 1 0.33333300 0.66666700 0.25000000 1.0 Ni Ni21 1 0.66666700 0.33333300 0.75000000 1.0 Hg Hg22 1 0.87882601 0.12117399 0.25000000 1.0 Hg Hg23 1 0.87882601 0.75765102 0.25000000 1.0 Hg Hg24 1 0.24234898 0.12117399 0.25000000 1.0 Hg Hg25 1 0.12117399 0.87882601 0.75000000 1.0 Hg Hg26 1 0.12117399 0.24234898 0.75000000 1.0 Hg Hg27 1 0.75765102 0.87882601 0.75000000 1.0