# generated using pymatgen data_MgZr8Hg3Pd8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53790019 _cell_length_b 7.53790019 _cell_length_c 6.72598447 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr8Hg3Pd8 _chemical_formula_sum 'Mg1 Zr8 Hg3 Pd8' _cell_volume 382.17002961 _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 Mg Mg0 1 0.00000000 0.50000000 0.75000000 1.0 Zr Zr1 1 0.65298562 0.66128331 0.50110122 1.0 Zr Zr2 1 0.81084712 0.18192147 0.49872917 1.0 Zr Zr3 1 0.68192147 0.68915288 0.00127083 1.0 Zr Zr4 1 0.83871669 0.15298562 0.99889878 1.0 Zr Zr5 1 0.18915288 0.81807853 0.49872917 1.0 Zr Zr6 1 0.31807853 0.31084712 0.00127083 1.0 Zr Zr7 1 0.16128331 0.84701438 0.99889878 1.0 Zr Zr8 1 0.34701438 0.33871669 0.50110122 1.0 Hg Hg9 1 0.00000000 0.50000000 0.25000000 1.0 Hg Hg10 1 0.50000000 0.00000000 0.75000000 1.0 Hg Hg11 1 0.50000000 0.00000000 0.25000000 1.0 Pd Pd12 1 0.62926630 0.37350102 0.22005743 1.0 Pd Pd13 1 0.36672626 0.62383108 0.77867811 1.0 Pd Pd14 1 0.87616892 0.86672626 0.72132189 1.0 Pd Pd15 1 0.63327374 0.37616892 0.77867811 1.0 Pd Pd16 1 0.37073370 0.62649898 0.22005743 1.0 Pd Pd17 1 0.12649898 0.12926630 0.27994257 1.0 Pd Pd18 1 0.87350102 0.87073370 0.27994257 1.0 Pd Pd19 1 0.12383108 0.13327374 0.72132189 1.0