# generated using pymatgen data_MgSc4TcHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94978851 _cell_length_b 6.85519078 _cell_length_c 6.94935064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.01111180 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSc4TcHg2 _chemical_formula_sum 'Mg2 Sc8 Tc2 Hg4' _cell_volume 331.08183382 _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 Mg Mg0 1 0.99992883 0.25000000 0.99999547 1.0 Mg Mg1 1 0.00007117 0.75000000 0.00000453 1.0 Sc Sc2 1 0.27269118 0.00005126 0.27269374 1.0 Sc Sc3 1 0.27269118 0.49994774 0.27269374 1.0 Sc Sc4 1 0.72728894 0.50004947 0.27271383 1.0 Sc Sc5 1 0.72728894 0.99995053 0.27271383 1.0 Sc Sc6 1 0.27271106 0.00004847 0.72728717 1.0 Sc Sc7 1 0.27271106 0.49995053 0.72728717 1.0 Sc Sc8 1 0.72730882 0.50005126 0.72730726 1.0 Sc Sc9 1 0.72730882 0.99994874 0.72730726 1.0 Tc Tc10 1 0.50002381 0.25000000 0.50000348 1.0 Tc Tc11 1 0.49997519 0.75000000 0.49999652 1.0 Hg Hg12 1 0.50007830 0.25000000 0.99999458 1.0 Hg Hg13 1 0.49992170 0.75000000 0.00000542 1.0 Hg Hg14 1 0.99993994 0.25000000 0.50000571 1.0 Hg Hg15 1 0.00006006 0.75000000 0.49999529 1.0