# generated using pymatgen data_Sc10MnHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88077483 _cell_length_b 8.88077526 _cell_length_c 9.12646494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999471 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc10MnHg3 _chemical_formula_sum 'Sc20 Mn2 Hg6' _cell_volume 623.35433390 _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 0.54019491 0.45980509 0.25000000 1.0 Sc Sc3 1 0.54019491 0.08039082 0.25000000 1.0 Sc Sc4 1 0.91960918 0.45980509 0.25000000 1.0 Sc Sc5 1 0.45980509 0.54019491 0.75000000 1.0 Sc Sc6 1 0.45980509 0.91960918 0.75000000 1.0 Sc Sc7 1 0.08039082 0.54019491 0.75000000 1.0 Sc Sc8 1 0.21138980 0.78861020 0.44045961 1.0 Sc Sc9 1 0.21138980 0.42278160 0.44045961 1.0 Sc Sc10 1 0.57721840 0.78861020 0.44045961 1.0 Sc Sc11 1 0.78861020 0.21138980 0.55954039 1.0 Sc Sc12 1 0.78861020 0.57721840 0.55954039 1.0 Sc Sc13 1 0.42278160 0.21138980 0.55954039 1.0 Sc Sc14 1 0.78861020 0.21138980 0.94045961 1.0 Sc Sc15 1 0.78861020 0.57721840 0.94045961 1.0 Sc Sc16 1 0.42278160 0.21138980 0.94045961 1.0 Sc Sc17 1 0.21138980 0.78861020 0.05954039 1.0 Sc Sc18 1 0.21138980 0.42278160 0.05954039 1.0 Sc Sc19 1 0.57721840 0.78861020 0.05954039 1.0 Mn Mn20 1 0.33333300 0.66666700 0.25000000 1.0 Mn Mn21 1 0.66666700 0.33333300 0.75000000 1.0 Hg Hg22 1 0.88256372 0.11743628 0.25000000 1.0 Hg Hg23 1 0.88256372 0.76512844 0.25000000 1.0 Hg Hg24 1 0.23487156 0.11743628 0.25000000 1.0 Hg Hg25 1 0.11743628 0.88256372 0.75000000 1.0 Hg Hg26 1 0.11743628 0.23487156 0.75000000 1.0 Hg Hg27 1 0.76512844 0.88256372 0.75000000 1.0