# generated using pymatgen data_Y3Sc5Hg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86046633 _cell_length_b 7.00276688 _cell_length_c 8.63164271 _cell_angle_alpha 90.17675779 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Sc5Hg4 _chemical_formula_sum 'Y3 Sc5 Hg4' _cell_volume 293.79134418 _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 Y Y0 1 0.25000000 0.48526651 0.19581338 1.0 Y Y1 1 0.75000000 0.01259754 0.69459045 1.0 Y Y2 1 0.75000000 0.51307378 0.80504476 1.0 Sc Sc3 1 0.25000000 0.83416109 0.92762481 1.0 Sc Sc4 1 0.25000000 0.32689711 0.57148867 1.0 Sc Sc5 1 0.75000000 0.16343202 0.08152972 1.0 Sc Sc6 1 0.75000000 0.67662419 0.42113311 1.0 Sc Sc7 1 0.25000000 0.98617365 0.30720939 1.0 Hg Hg8 1 0.25000000 0.24313157 0.90011077 1.0 Hg Hg9 1 0.25000000 0.74537745 0.59448901 1.0 Hg Hg10 1 0.75000000 0.75874652 0.09949538 1.0 Hg Hg11 1 0.75000000 0.25451857 0.40146857 1.0