# CIF generated by HEAS from Alexandria entry agm005277828 data_agm005277828 _cell_length_a 9.24590 _cell_length_b 9.24590 _cell_length_c 7.61645 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 563.87332 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P1 P 0.33333 0.66667 0.33054 1.00000 P2 P 0.66667 0.33333 0.83054 1.00000 H1 H 0.28680 0.25716 0.37960 1.00000 H2 H 0.74284 0.02963 0.37960 1.00000 H3 H 0.97037 0.71320 0.37960 1.00000 H4 H 0.71320 0.74284 0.87960 1.00000 H5 H 0.25716 0.97037 0.87960 1.00000 H6 H 0.02963 0.28680 0.87960 1.00000 H7 H 0.18712 0.32877 0.23069 1.00000 H8 H 0.67123 0.85834 0.23069 1.00000 H9 H 0.14166 0.81288 0.23069 1.00000 H10 H 0.81288 0.67123 0.73069 1.00000 H11 H 0.32877 0.14166 0.73069 1.00000 H12 H 0.85834 0.18712 0.73069 1.00000 H13 H 0.11770 0.28506 0.45480 1.00000 H14 H 0.71494 0.83263 0.45480 1.00000 H15 H 0.16737 0.88230 0.45480 1.00000 H16 H 0.88230 0.71494 0.95480 1.00000 H17 H 0.28506 0.16737 0.95480 1.00000 H18 H 0.83263 0.11770 0.95480 1.00000 H19 H 0.32274 0.48798 0.67403 1.00000 H20 H 0.51202 0.83476 0.67403 1.00000 H21 H 0.16524 0.67726 0.67403 1.00000 H22 H 0.67726 0.51202 0.17403 1.00000 H23 H 0.48798 0.16524 0.17403 1.00000 H24 H 0.83476 0.32274 0.17403 1.00000 H25 H 0.48580 0.47477 0.59519 1.00000 H26 H 0.52523 0.01102 0.59519 1.00000 H27 H 0.98898 0.51420 0.59519 1.00000 H28 H 0.51420 0.52523 0.09519 1.00000 H29 H 0.47477 0.98898 0.09519 1.00000 H30 H 0.01102 0.48580 0.09519 1.00000 C1 C 0.22758 0.33447 0.36734 1.00000 C2 C 0.66553 0.89312 0.36734 1.00000 C3 C 0.10688 0.77242 0.36734 1.00000 C4 C 0.77242 0.66553 0.86734 1.00000 C5 C 0.33447 0.10688 0.86734 1.00000 C6 C 0.89312 0.22758 0.86734 1.00000 S1 S 0.33333 0.66667 0.07141 1.00000 S2 S 0.66667 0.33333 0.57141 1.00000 N1 N 0.41847 0.53530 0.58424 1.00000 N2 N 0.46470 0.88316 0.58424 1.00000 N3 N 0.11684 0.58153 0.58424 1.00000 N4 N 0.58153 0.46470 0.08424 1.00000 N5 N 0.53530 0.11684 0.08424 1.00000 N6 N 0.88316 0.41847 0.08424 1.00000 N7 N 0.35023 0.50698 0.41196 1.00000 N8 N 0.49302 0.84325 0.41196 1.00000 N9 N 0.15675 0.64977 0.41196 1.00000 N10 N 0.64977 0.49302 0.91196 1.00000 N11 N 0.50698 0.15675 0.91196 1.00000 N12 N 0.84325 0.35023 0.91196 1.00000