# generated using pymatgen data_Hg2IN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86405252 _cell_length_b 6.86405252 _cell_length_c 11.52966800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000497 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2IN _chemical_formula_sum 'Hg8 I4 N4' _cell_volume 470.44472896 _cell_formula_units_Z 4 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 Hg Hg0 1 0.33333300 0.66666700 0.25000000 1.0 Hg Hg1 1 0.66666700 0.33333300 0.75000000 1.0 Hg Hg2 1 0.50000000 0.50000000 0.50000000 1.0 Hg Hg3 1 0.50000000 0.00000000 0.50000000 1.0 Hg Hg4 1 0.00000000 0.50000000 0.50000000 1.0 Hg Hg5 1 0.50000000 0.50000000 0.00000000 1.0 Hg Hg6 1 0.50000000 0.00000000 0.00000000 1.0 Hg Hg7 1 0.00000000 0.50000000 0.00000000 1.0 I I8 1 0.33333300 0.66666700 0.75000000 1.0 I I9 1 0.66666700 0.33333300 0.25000000 1.0 I I10 1 0.00000000 0.00000000 0.25000000 1.0 I I11 1 0.00000000 0.00000000 0.75000000 1.0 N N12 1 0.33333300 0.66666700 0.06709300 1.0 N N13 1 0.66666700 0.33333300 0.93290700 1.0 N N14 1 0.66666700 0.33333300 0.56709300 1.0 N N15 1 0.33333300 0.66666700 0.43290700 1.0