# generated using pymatgen data_Hg(Br3N2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02136300 _cell_length_b 9.02136300 _cell_length_c 10.33702000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg(Br3N2)2 _chemical_formula_sum 'Hg2 Br12 N8' _cell_volume 841.27827323 _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 Hg Hg0 1 0.50000000 0.50000000 0.50000000 1.0 Hg Hg1 1 0.00000000 0.00000000 0.00000000 1.0 Br Br2 1 0.50000000 0.50000000 0.73892200 1.0 Br Br3 1 0.00000000 0.00000000 0.23892200 1.0 Br Br4 1 0.50000000 0.50000000 0.26107800 1.0 Br Br5 1 0.00000000 0.00000000 0.76107800 1.0 Br Br6 1 0.36298200 0.83948500 0.50000000 1.0 Br Br7 1 0.63701800 0.16051500 0.50000000 1.0 Br Br8 1 0.13701800 0.33948500 0.00000000 1.0 Br Br9 1 0.86298200 0.66051500 0.00000000 1.0 Br Br10 1 0.83948500 0.63701800 0.50000000 1.0 Br Br11 1 0.16051500 0.36298200 0.50000000 1.0 Br Br12 1 0.33948500 0.86298200 0.00000000 1.0 Br Br13 1 0.66051500 0.13701800 0.00000000 1.0 N N14 1 0.95612900 0.54387100 0.75000000 1.0 N N15 1 0.04387100 0.45612900 0.75000000 1.0 N N16 1 0.54387100 0.04387100 0.25000000 1.0 N N17 1 0.45612900 0.95612900 0.25000000 1.0 N N18 1 0.54387100 0.04387100 0.75000000 1.0 N N19 1 0.45612900 0.95612900 0.75000000 1.0 N N20 1 0.04387100 0.45612900 0.25000000 1.0 N N21 1 0.95612900 0.54387100 0.25000000 1.0