# CIF generated by HEAS from Alexandria entry agm078553853 data_agm078553853 _cell_length_a 12.46723 _cell_length_b 11.88866 _cell_length_c 6.62063 _cell_angle_alpha 79.10983 _cell_angle_beta 69.45864 _cell_angle_gamma 31.43152 _cell_volume 466.76921 _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 Pa1 Pa 0.86086 0.31403 0.66124 1.00000 Pa2 Pa 0.31403 0.86086 0.16388 1.00000 Pa3 Pa 0.16388 0.66124 0.31403 1.00000 Pa4 Pa 0.66124 0.16388 0.86086 1.00000 Pa5 Pa 0.38914 0.93597 0.58876 1.00000 Pa6 Pa 0.93597 0.38914 0.08612 1.00000 Pa7 Pa 0.08612 0.58876 0.93597 1.00000 Pa8 Pa 0.58876 0.08612 0.38914 1.00000 Pa9 Pa 0.47544 0.02456 0.02456 1.00000 Pa10 Pa 0.02456 0.47544 0.47544 1.00000 Pa11 Pa 0.77456 0.22544 0.22544 1.00000 Pa12 Pa 0.22544 0.77456 0.77456 1.00000 C1 C 0.08349 0.08349 0.91651 1.00000 C2 C 0.91651 0.91651 0.08349 1.00000 C3 C 0.16651 0.16651 0.33349 1.00000 C4 C 0.33349 0.33349 0.16651 1.00000 S1 S 0.25327 0.25327 0.74673 1.00000 S2 S 0.74673 0.74673 0.25327 1.00000 S3 S 0.99673 0.99673 0.50327 1.00000 S4 S 0.50327 0.50327 0.99673 1.00000 S5 S 0.41952 0.41952 0.58048 1.00000 S6 S 0.58048 0.58048 0.41952 1.00000 S7 S 0.83048 0.83048 0.66952 1.00000 S8 S 0.66952 0.66952 0.83048 1.00000