# CIF generated by HEAS from Alexandria entry agm005237649 data_agm005237649 _cell_length_a 11.61568 _cell_length_b 11.61568 _cell_length_c 20.96065 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 2449.20160 _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 Sr1 Sr 0.01746 0.67362 0.18704 1.00000 Sr2 Sr 0.29796 0.96814 0.32201 1.00000 Sr3 Sr 0.99593 0.36038 0.56271 1.00000 Sr4 Sr 0.29952 0.96277 0.05654 1.00000 Sr5 Sr 0.36446 0.00407 0.56271 1.00000 Sr6 Sr 0.03723 0.33675 0.05654 1.00000 Sr7 Sr 0.03186 0.32982 0.32201 1.00000 Sr8 Sr 0.32638 0.34383 0.18704 1.00000 Sr9 Sr 0.65617 0.98254 0.18704 1.00000 Sr10 Sr 0.32930 0.29662 0.67750 1.00000 Sr11 Sr 0.36405 0.36070 0.43521 1.00000 Sr12 Sr 0.33628 0.29804 0.94498 1.00000 Sr13 Sr 0.66325 0.70048 0.05654 1.00000 Sr14 Sr 0.63962 0.63554 0.56271 1.00000 Sr15 Sr 0.67018 0.70204 0.32201 1.00000 Sr16 Sr 0.35257 0.01783 0.81542 1.00000 Sr17 Sr 0.66526 0.64743 0.81542 1.00000 Sr18 Sr 0.96732 0.67070 0.67750 1.00000 Sr19 Sr 0.96176 0.66372 0.94498 1.00000 Sr20 Sr 0.63930 0.00335 0.43521 1.00000 Sr21 Sr 0.70196 0.03824 0.94498 1.00000 Sr22 Sr 0.99665 0.63595 0.43521 1.00000 Sr23 Sr 0.70338 0.03268 0.67750 1.00000 Sr24 Sr 0.98217 0.33474 0.81542 1.00000 Ti1 Ti 0.33333 0.66667 0.66753 1.00000 Ti2 Ti 0.33333 0.66667 0.10444 1.00000 Ti3 Ti 0.33333 0.66667 0.24183 1.00000 Ti4 Ti 0.33333 0.66667 0.95695 1.00000 Ti5 Ti 0.00000 0.00000 0.99903 1.00000 Ti6 Ti 0.00000 0.00000 0.13803 1.00000 Ti7 Ti 0.33333 0.66667 0.81101 1.00000 Ti8 Ti 0.00000 0.00000 0.27539 1.00000 Ti9 Ti 0.00000 0.00000 0.57224 1.00000 Ti10 Ti 0.00000 0.00000 0.72067 1.00000 Ti11 Ti 0.00000 0.00000 0.85925 1.00000 Ti12 Ti 0.33333 0.66667 0.37972 1.00000 Ti13 Ti 0.33333 0.66667 0.52133 1.00000 Ti14 Ti 0.66667 0.33333 0.48036 1.00000 Ti15 Ti 0.66667 0.33333 0.62215 1.00000 Ti16 Ti 0.00000 0.00000 0.42426 1.00000 Ti17 Ti 0.66667 0.33333 0.18893 1.00000 Ti18 Ti 0.66667 0.33333 0.33282 1.00000 Ti19 Ti 0.66667 0.33333 0.75956 1.00000 Ti20 Ti 0.66667 0.33333 0.89682 1.00000 Ti21 Ti 0.66667 0.33333 0.04387 1.00000 S1 S 0.15634 0.98551 0.64803 1.00000 S2 S 0.15810 0.98157 0.20553 1.00000 S3 S 0.15591 0.97011 0.93018 1.00000 S4 S 0.14957 0.64271 0.31180 1.00000 S5 S 0.16909 0.66962 0.58943 1.00000 S6 S 0.16407 0.65874 0.03304 1.00000 S7 S 0.14750 0.59023 0.88391 1.00000 S8 S 0.23942 0.76314 0.73805 1.00000 S9 S 0.30693 0.82327 0.44886 1.00000 S10 S 0.16429 0.49879 0.17491 1.00000 S11 S 0.33450 0.83571 0.17491 1.00000 S12 S 0.01843 0.17653 0.20553 1.00000 S13 S 0.01449 0.17083 0.64803 1.00000 S14 S 0.17673 0.48366 0.44886 1.00000 S15 S 0.02989 0.18580 0.93018 1.00000 S16 S 0.23686 0.47628 0.73805 1.00000 S17 S 0.44273 0.85250 0.88391 1.00000 S18 S 0.49314 0.85043 0.31180 1.00000 S19 S 0.49468 0.83593 0.03304 1.00000 S20 S 0.33038 0.49947 0.58943 1.00000 S21 S 0.50053 0.83091 0.58943 1.00000 S22 S 0.18178 0.14612 0.79157 1.00000 S23 S 0.34126 0.50532 0.03304 1.00000 S24 S 0.16883 0.15832 0.34849 1.00000 S25 S 0.35729 0.50686 0.31180 1.00000 S26 S 0.18543 0.15646 0.06825 1.00000 S27 S 0.18584 0.09327 0.49848 1.00000 S28 S 0.40977 0.55727 0.88391 1.00000 S29 S 0.52372 0.76058 0.73805 1.00000 S30 S 0.50121 0.66550 0.17491 1.00000 S31 S 0.51634 0.69307 0.44886 1.00000 S32 S 0.49351 0.32463 0.55256 1.00000 S33 S 0.49900 0.33467 0.82661 1.00000 S34 S 0.47693 0.24084 0.26303 1.00000 S35 S 0.58171 0.43584 0.11685 1.00000 S36 S 0.81420 0.84409 0.93018 1.00000 S37 S 0.64318 0.49360 0.68959 1.00000 S38 S 0.82917 0.84366 0.64803 1.00000 S39 S 0.65775 0.49461 0.96814 1.00000 S40 S 0.82347 0.84190 0.20553 1.00000 S41 S 0.50067 0.16735 0.41135 1.00000 S42 S 0.66668 0.49933 0.41135 1.00000 S43 S 0.50539 0.16314 0.96814 1.00000 S44 S 0.50640 0.14958 0.68959 1.00000 S45 S 0.90743 0.81416 0.49848 1.00000 S46 S 0.56416 0.14587 0.11685 1.00000 S47 S 0.76391 0.52307 0.26303 1.00000 S48 S 0.97104 0.81457 0.06825 1.00000 S49 S 0.83111 0.50648 0.55256 1.00000 S50 S 0.98949 0.83117 0.34849 1.00000 S51 S 0.96434 0.81822 0.79157 1.00000 S52 S 0.66533 0.16433 0.82661 1.00000 S53 S 0.83567 0.50100 0.82661 1.00000 S54 S 0.67537 0.16889 0.55256 1.00000 S55 S 0.75916 0.23609 0.26303 1.00000 S56 S 0.85413 0.41829 0.11685 1.00000 S57 S 0.83686 0.34225 0.96814 1.00000 S58 S 0.83265 0.33332 0.41135 1.00000 S59 S 0.85042 0.35682 0.68959 1.00000 S60 S 0.84354 0.02896 0.06825 1.00000 S61 S 0.85388 0.03566 0.79157 1.00000 S62 S 0.84168 0.01051 0.34849 1.00000 S63 S 0.90673 0.09257 0.49848 1.00000