# generated using pymatgen data_MgHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14539244 _cell_length_b 6.72305140 _cell_length_c 5.00315595 _cell_angle_alpha 68.15546958 _cell_angle_beta 90.00000000 _cell_angle_gamma 76.47169032 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHg3 _chemical_formula_sum 'Mg1 Hg3' _cell_volume 95.03331041 _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 0.75000100 0.49999900 0.10643101 1.0 Hg Hg1 1 0.04343072 0.91313557 0.01208655 1.0 Hg Hg2 1 0.45656928 0.08686343 0.42522411 1.0 Hg Hg3 1 0.25000200 0.49999900 0.62292633 1.0