# generated using pymatgen data_PH8BrN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.22314700 _cell_length_b 9.22314700 _cell_length_c 4.41487000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PH8BrN4 _chemical_formula_sum 'P2 H16 Br2 N8' _cell_volume 375.55727654 _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 P P0 1 0.00000000 0.50000000 0.50000000 1.0 P P1 1 0.50000000 0.00000000 0.50000000 1.0 H H2 1 0.60768200 0.24023600 0.88070000 1.0 H H3 1 0.24023600 0.39231800 0.88070000 1.0 H H4 1 0.75976400 0.60768200 0.88070000 1.0 H H5 1 0.39231800 0.75976400 0.88070000 1.0 H H6 1 0.39231800 0.24023600 0.11930000 1.0 H H7 1 0.60768200 0.75976400 0.11930000 1.0 H H8 1 0.24023600 0.60768200 0.11930000 1.0 H H9 1 0.75976400 0.39231800 0.11930000 1.0 H H10 1 0.89231800 0.25976400 0.11930000 1.0 H H11 1 0.25976400 0.10768200 0.11930000 1.0 H H12 1 0.74023600 0.89231800 0.11930000 1.0 H H13 1 0.10768200 0.74023600 0.11930000 1.0 H H14 1 0.10768200 0.25976400 0.88070000 1.0 H H15 1 0.89231800 0.74023600 0.88070000 1.0 H H16 1 0.25976400 0.89231800 0.88070000 1.0 H H17 1 0.74023600 0.10768200 0.88070000 1.0 Br Br18 1 0.00000000 0.00000000 0.00000000 1.0 Br Br19 1 0.50000000 0.50000000 0.00000000 1.0 N N20 1 0.69716600 0.19716600 0.98587800 1.0 N N21 1 0.19716600 0.30283400 0.98587800 1.0 N N22 1 0.80283400 0.69716600 0.98587800 1.0 N N23 1 0.30283400 0.80283400 0.98587800 1.0 N N24 1 0.30283400 0.19716600 0.01412200 1.0 N N25 1 0.69716600 0.80283400 0.01412200 1.0 N N26 1 0.19716600 0.69716600 0.01412200 1.0 N N27 1 0.80283400 0.30283400 0.01412200 1.0