# CIF generated by HEAS from Alexandria entry agm001817705 data_agm001817705 _cell_length_a 10.69819 _cell_length_b 10.69819 _cell_length_c 10.69819 _cell_angle_alpha 109.47122 _cell_angle_beta 109.47122 _cell_angle_gamma 109.47122 _cell_volume 942.55986 _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 Ti1 Ti 0.75000 0.37500 0.12500 1.00000 Ti2 Ti 0.87500 0.75000 0.12500 1.00000 Ti3 Ti 0.37500 0.75000 0.62500 1.00000 Ti4 Ti 0.25000 0.12500 0.37500 1.00000 Ti5 Ti 0.87500 0.12500 0.25000 1.00000 Ti6 Ti 0.37500 0.62500 0.25000 1.00000 Ti7 Ti 0.62500 0.37500 0.75000 1.00000 Ti8 Ti 0.12500 0.87500 0.75000 1.00000 Ti9 Ti 0.75000 0.87500 0.62500 1.00000 Ti10 Ti 0.62500 0.25000 0.37500 1.00000 Ti11 Ti 0.12500 0.25000 0.87500 1.00000 Ti12 Ti 0.25000 0.62500 0.87500 1.00000 Y1 Y 0.12500 0.37500 0.25000 1.00000 Y2 Y 0.00000 0.50000 0.00000 1.00000 Y3 Y 0.00000 0.00000 0.00000 1.00000 Y4 Y 0.37500 0.25000 0.12500 1.00000 Y5 Y 0.50000 0.00000 0.50000 1.00000 Y6 Y 0.50000 0.50000 0.00000 1.00000 Y7 Y 0.12500 0.75000 0.37500 1.00000 Y8 Y 0.75000 0.12500 0.87500 1.00000 Y9 Y 0.75000 0.62500 0.37500 1.00000 Y10 Y 0.37500 0.12500 0.75000 1.00000 Y11 Y 0.62500 0.87500 0.25000 1.00000 Y12 Y 0.50000 0.50000 0.50000 1.00000 Y13 Y 0.50000 0.00000 0.00000 1.00000 Y14 Y 0.00000 0.00000 0.50000 1.00000 Y15 Y 0.25000 0.37500 0.62500 1.00000 Y16 Y 0.25000 0.87500 0.12500 1.00000 Y17 Y 0.00000 0.50000 0.50000 1.00000 Y18 Y 0.87500 0.25000 0.62500 1.00000 Y19 Y 0.62500 0.75000 0.87500 1.00000 Y20 Y 0.87500 0.62500 0.75000 1.00000 H1 H 0.72849 0.17344 0.07629 1.00000 H2 H 0.34779 0.57629 0.40285 1.00000 H3 H 0.92371 0.32656 0.27151 1.00000 H4 H 0.57629 0.22849 0.17344 1.00000 H5 H 0.55506 0.72849 0.65221 1.00000 H6 H 0.92371 0.59715 0.15221 1.00000 H7 H 0.34779 0.77151 0.44494 1.00000 H8 H 0.09715 0.94494 0.17344 1.00000 H9 H 0.59715 0.92371 0.65221 1.00000 H10 H 0.72849 0.55506 0.15221 1.00000 H11 H 0.77151 0.42371 0.32656 1.00000 H12 H 0.84779 0.90285 0.07629 1.00000 H13 H 0.17344 0.72849 0.57629 1.00000 H14 H 0.32656 0.40285 0.05506 1.00000 H15 H 0.05506 0.90285 0.32656 1.00000 H16 H 0.44494 0.17344 0.59715 1.00000 H17 H 0.05506 0.15221 0.22849 1.00000 H18 H 0.42371 0.65221 0.09715 1.00000 H19 H 0.84779 0.94494 0.27151 1.00000 H20 H 0.17344 0.44494 0.09715 1.00000 H21 H 0.32656 0.92371 0.77151 1.00000 H22 H 0.59715 0.67344 0.44494 1.00000 H23 H 0.90285 0.84779 0.57629 1.00000 H24 H 0.77151 0.34779 0.94494 1.00000 H25 H 0.40285 0.32656 0.55506 1.00000 H26 H 0.09715 0.15221 0.42371 1.00000 H27 H 0.22849 0.65221 0.05506 1.00000 H28 H 0.15221 0.05506 0.72849 1.00000 H29 H 0.67344 0.07629 0.22849 1.00000 H30 H 0.82656 0.55506 0.90285 1.00000 H31 H 0.57629 0.34779 0.90285 1.00000 H32 H 0.55506 0.82656 0.40285 1.00000 H33 H 0.94494 0.84779 0.77151 1.00000 H34 H 0.94494 0.09715 0.67344 1.00000 H35 H 0.82656 0.27151 0.42371 1.00000 H36 H 0.15221 0.09715 0.92371 1.00000 H37 H 0.67344 0.59715 0.94494 1.00000 H38 H 0.40285 0.07629 0.34779 1.00000 H39 H 0.27151 0.44494 0.84779 1.00000 H40 H 0.22849 0.57629 0.67344 1.00000 H41 H 0.90285 0.05506 0.82656 1.00000 H42 H 0.65221 0.22849 0.55506 1.00000 H43 H 0.42371 0.77151 0.82656 1.00000 H44 H 0.07629 0.40285 0.84779 1.00000 H45 H 0.44494 0.27151 0.34779 1.00000 H46 H 0.07629 0.67344 0.72849 1.00000 H47 H 0.65221 0.42371 0.59715 1.00000 H48 H 0.27151 0.82656 0.92371 1.00000