# generated using pymatgen data_Zr5SnHgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86976069 _cell_length_b 8.86976067 _cell_length_c 5.99043484 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.89299889 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5SnHgBi2 _chemical_formula_sum 'Zr10 Sn2 Hg2 Bi4' _cell_volume 408.58275965 _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 Zr Zr0 1 0.66717627 0.33068930 0.00308799 1.0 Zr Zr1 1 0.33068930 0.66717627 0.00308799 1.0 Zr Zr2 1 0.33068930 0.66717627 0.49691201 1.0 Zr Zr3 1 0.66717627 0.33068930 0.49691201 1.0 Zr Zr4 1 0.72294333 0.72294333 0.75000000 1.0 Zr Zr5 1 0.27688149 0.99874691 0.75000000 1.0 Zr Zr6 1 0.99874691 0.27688149 0.75000000 1.0 Zr Zr7 1 0.27792981 0.27792981 0.25000000 1.0 Zr Zr8 1 0.72206555 0.00584403 0.25000000 1.0 Zr Zr9 1 0.00584403 0.72206555 0.25000000 1.0 Sn Sn10 1 0.38203048 0.00069555 0.25000000 1.0 Sn Sn11 1 0.00069555 0.38203048 0.25000000 1.0 Hg Hg12 1 0.00034646 0.00034646 0.00251397 1.0 Hg Hg13 1 0.00034646 0.00034646 0.49748603 1.0 Bi Bi14 1 0.38277585 0.38277585 0.75000000 1.0 Bi Bi15 1 0.61539894 0.99886063 0.75000000 1.0 Bi Bi16 1 0.99886063 0.61539894 0.75000000 1.0 Bi Bi17 1 0.61940537 0.61940537 0.25000000 1.0