# generated using pymatgen data_HgH2C6(NCl2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.79143100 _cell_length_b 6.73858400 _cell_length_c 16.42791769 _cell_angle_alpha 87.39475408 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgH2C6(NCl2)2 _chemical_formula_sum 'Hg4 H8 C24 N8 Cl16' _cell_volume 1525.14586682 _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 0.74584800 0.09466100 0.08535700 1.0 Hg Hg1 1 0.75415200 0.09466100 0.58535700 1.0 Hg Hg2 1 0.25415200 0.90533900 0.91464300 1.0 Hg Hg3 1 0.24584800 0.90533900 0.41464300 1.0 H H4 1 0.26731100 0.41096100 0.95618500 1.0 H H5 1 0.23268900 0.41096100 0.45618500 1.0 H H6 1 0.73268900 0.58903900 0.04381500 1.0 H H7 1 0.76731100 0.58903900 0.54381500 1.0 H H8 1 0.57731000 0.46220100 0.67985000 1.0 H H9 1 0.92269000 0.46220100 0.17985000 1.0 H H10 1 0.42269000 0.53779900 0.32015000 1.0 H H11 1 0.07731000 0.53779900 0.82015000 1.0 C C12 1 0.24680000 0.13606200 0.01965800 1.0 C C13 1 0.25320000 0.13606200 0.51965800 1.0 C C14 1 0.75320000 0.86393800 0.98034200 1.0 C C15 1 0.74680000 0.86393800 0.48034200 1.0 C C16 1 0.28324000 0.12195900 0.09932700 1.0 C C17 1 0.21676000 0.12195900 0.59932700 1.0 C C18 1 0.71676000 0.87804100 0.90067300 1.0 C C19 1 0.78324000 0.87804100 0.40067300 1.0 C C20 1 0.31301800 0.31248100 0.07115800 1.0 C C21 1 0.18698200 0.31248100 0.57115800 1.0 C C22 1 0.68698200 0.68751900 0.92884200 1.0 C C23 1 0.81301800 0.68751900 0.42884200 1.0 C C24 1 0.40272300 0.42432500 0.75683900 1.0 C C25 1 0.09727700 0.42432500 0.25683900 1.0 C C26 1 0.59727700 0.57567500 0.24316100 1.0 C C27 1 0.90272300 0.57567500 0.74316100 1.0 C C28 1 0.49653000 0.45868700 0.78535700 1.0 C C29 1 0.00347000 0.45868700 0.28535700 1.0 C C30 1 0.50347000 0.54131300 0.21464300 1.0 C C31 1 0.99653000 0.54131300 0.71464300 1.0 C C32 1 0.43955200 0.56801000 0.70102000 1.0 C C33 1 0.06044800 0.56801000 0.20102000 1.0 C C34 1 0.56044800 0.43199000 0.29898000 1.0 C C35 1 0.93955200 0.43199000 0.79898000 1.0 N N36 1 0.23967400 0.35150100 0.01039100 1.0 N N37 1 0.26032600 0.35150100 0.51039100 1.0 N N38 1 0.76032600 0.64849900 0.98960900 1.0 N N39 1 0.73967400 0.64849900 0.48960900 1.0 N N40 1 0.54151500 0.56083800 0.71685800 1.0 N N41 1 0.95848500 0.56083800 0.21685800 1.0 N N42 1 0.45848500 0.43916200 0.28314200 1.0 N N43 1 0.04151500 0.43916200 0.78314200 1.0 Cl Cl44 1 0.70663200 0.64261700 0.20709900 1.0 Cl Cl45 1 0.79336800 0.64261700 0.70709900 1.0 Cl Cl46 1 0.29336800 0.35738300 0.79290100 1.0 Cl Cl47 1 0.20663200 0.35738300 0.29290100 1.0 Cl Cl48 1 0.57866700 0.15860700 0.10473600 1.0 Cl Cl49 1 0.92133300 0.15860700 0.60473600 1.0 Cl Cl50 1 0.42133300 0.84139300 0.89526400 1.0 Cl Cl51 1 0.07866700 0.84139300 0.39526400 1.0 Cl Cl52 1 0.91271300 0.16051900 0.11381000 1.0 Cl Cl53 1 0.58728700 0.16051900 0.61381000 1.0 Cl Cl54 1 0.08728700 0.83948100 0.88619000 1.0 Cl Cl55 1 0.41271300 0.83948100 0.38619000 1.0 Cl Cl56 1 0.81887100 0.05283300 0.33249400 1.0 Cl Cl57 1 0.68112900 0.05283300 0.83249400 1.0 Cl Cl58 1 0.18112900 0.94716700 0.66750600 1.0 Cl Cl59 1 0.31887100 0.94716700 0.16750600 1.0