# generated using pymatgen data_SnHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83513204 _cell_length_b 6.83513204 _cell_length_c 5.21525400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000042 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnHg3 _chemical_formula_sum 'Sn2 Hg6' _cell_volume 211.00848160 _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 Sn Sn0 1 0.33333300 0.66666700 0.75000000 1.0 Sn Sn1 1 0.66666700 0.33333300 0.25000000 1.0 Hg Hg2 1 0.16554700 0.33109500 0.25000000 1.0 Hg Hg3 1 0.66890500 0.83445300 0.25000000 1.0 Hg Hg4 1 0.16554700 0.83445300 0.25000000 1.0 Hg Hg5 1 0.83445300 0.66890500 0.75000000 1.0 Hg Hg6 1 0.33109500 0.16554700 0.75000000 1.0 Hg Hg7 1 0.83445300 0.16554700 0.75000000 1.0