# CIF generated by HEAS from Alexandria entry agm005278739 data_agm005278739 _cell_length_a 15.31042 _cell_length_b 15.31042 _cell_length_c 15.31042 _cell_angle_alpha 118.08771 _cell_angle_beta 118.08481 _cell_angle_gamma 93.34794 _cell_volume 2606.33110 _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 Ca1 Ca 0.14622 0.74958 0.39735 1.00000 Ca2 Ca 0.87810 0.74618 0.28187 1.00000 Ca3 Ca 0.65059 0.78414 0.27883 1.00000 Ca4 Ca 0.00029 0.52280 0.33808 1.00000 Ca5 Ca 0.12267 0.97181 0.60405 1.00000 Ca6 Ca 0.15328 0.37202 0.36820 1.00000 Ca7 Ca 0.23115 0.12812 0.34930 1.00000 Ca8 Ca 0.77882 0.62812 0.39697 1.00000 Ca9 Ca 0.22690 0.75137 0.66454 1.00000 Ca10 Ca 0.50000 0.89752 0.39752 1.00000 Ca11 Ca 0.00382 0.87202 0.71874 1.00000 Ca12 Ca 0.73088 0.88253 0.60512 1.00000 Ca13 Ca 0.00000 0.60352 0.60352 1.00000 Ca14 Ca 0.31144 0.97730 0.47555 1.00000 Ca15 Ca 0.99971 0.33779 0.52250 1.00000 Ca16 Ca 0.41313 0.74998 0.47756 1.00000 Ca17 Ca 0.77310 0.43764 0.52447 1.00000 Ca18 Ca 0.36776 0.47181 0.34915 1.00000 Ca19 Ca 0.22118 0.61815 0.84930 1.00000 Ca20 Ca 0.86785 0.01937 0.39592 1.00000 Ca21 Ca 0.58687 0.06442 0.33685 1.00000 Ca22 Ca 0.46431 0.24618 0.36808 1.00000 Ca23 Ca 0.81529 0.83779 0.83808 1.00000 Ca24 Ca 0.99618 0.71492 0.86820 1.00000 Ca25 Ca 0.85378 0.25113 0.60336 1.00000 Ca26 Ca 0.53569 0.90377 0.78187 1.00000 Ca27 Ca 0.62345 0.51937 0.65153 1.00000 Ca28 Ca 0.12190 0.40377 0.86808 1.00000 Ca29 Ca 0.37814 0.59992 0.63345 1.00000 Ca30 Ca 0.87733 0.48139 0.84915 1.00000 Ca31 Ca 0.96648 0.09992 0.72178 1.00000 Ca32 Ca 0.64778 0.75113 0.89735 1.00000 Ca33 Ca 0.50531 0.28414 0.63355 1.00000 Ca34 Ca 0.68856 0.16411 0.66586 1.00000 Ca35 Ca 0.03352 0.75530 0.13345 1.00000 Ca36 Ca 0.91317 0.93764 0.16454 1.00000 Ca37 Ca 0.63224 0.98139 0.10405 1.00000 Ca38 Ca 0.27742 0.38253 0.65165 1.00000 Ca39 Ca 0.13215 0.52808 0.15153 1.00000 Ca40 Ca 0.72757 0.56442 0.97756 1.00000 Ca41 Ca 0.08683 0.25137 0.02447 1.00000 Ca42 Ca 0.49825 0.66411 0.97555 1.00000 Ca43 Ca 0.18471 0.02280 0.02250 1.00000 Ca44 Ca 0.50000 0.39752 0.89752 1.00000 Ca45 Ca 0.76885 0.11815 0.89697 1.00000 Ca46 Ca 0.49469 0.12824 0.77883 1.00000 Ca47 Ca 0.00000 0.10352 0.10352 1.00000 Ca48 Ca 0.27243 0.24998 0.83685 1.00000 Ca49 Ca 0.72258 0.37424 0.10512 1.00000 Ca50 Ca 0.26912 0.87424 0.15165 1.00000 Ca51 Ca 0.34941 0.62824 0.13355 1.00000 Ca52 Ca 0.37655 0.02808 0.89592 1.00000 Ca53 Ca 0.50175 0.47730 0.16586 1.00000 Ca54 Ca 0.84672 0.21492 0.21874 1.00000 Ca55 Ca 0.62186 0.25530 0.22178 1.00000 Ca56 Ca 0.35222 0.24958 0.10336 1.00000 Mn1 Mn 0.62517 0.62560 0.50079 1.00000 Mn2 Mn 0.12481 0.12560 0.50043 1.00000 Mn3 Mn 0.87519 0.37562 0.00079 1.00000 Mn4 Mn 0.37483 0.87562 0.00043 1.00000 As1 As 0.06545 0.92612 0.36870 1.00000 As2 As 0.22938 0.58308 0.40538 1.00000 As3 As 0.00925 0.74103 0.50041 1.00000 As4 As 0.87176 0.87860 0.50036 1.00000 As5 As 0.83306 0.42787 0.35470 1.00000 As6 As 0.05208 0.18453 0.36010 1.00000 As7 As 0.55213 0.69296 0.36889 1.00000 As8 As 0.25772 0.75815 0.26600 1.00000 As9 As 0.16694 0.52164 0.59482 1.00000 As10 As 0.55742 0.42612 0.36068 1.00000 As11 As 0.77062 0.17600 0.35370 1.00000 As12 As 0.57366 0.97979 0.64628 1.00000 As13 As 0.82444 0.68453 0.63245 1.00000 As14 As 0.17556 0.80801 0.86010 1.00000 As15 As 0.99075 0.49116 0.73178 1.00000 As16 As 0.05764 0.19904 0.63231 1.00000 As17 As 0.56672 0.69904 0.64139 1.00000 As18 As 0.32247 0.91646 0.64521 1.00000 As19 As 0.67753 0.32274 0.59399 1.00000 As20 As 0.74228 0.00828 0.50042 1.00000 As21 As 0.07318 0.92787 0.09482 1.00000 As22 As 0.37824 0.37860 0.50684 1.00000 As23 As 0.42634 0.07262 0.40613 1.00000 As24 As 0.75938 0.99116 0.00041 1.00000 As25 As 0.12824 0.62859 0.00684 1.00000 As26 As 0.82230 0.67600 0.90538 1.00000 As27 As 0.17770 0.08308 0.85370 1.00000 As28 As 0.93455 0.30326 0.86068 1.00000 As29 As 0.44258 0.80326 0.86870 1.00000 As30 As 0.50785 0.50828 0.76600 1.00000 As31 As 0.32407 0.19296 0.64082 1.00000 As32 As 0.67593 0.31675 0.86889 1.00000 As33 As 0.92682 0.02164 0.85470 1.00000 As34 As 0.72875 0.82274 0.14521 1.00000 As35 As 0.94236 0.57467 0.14139 1.00000 As36 As 0.33351 0.47979 0.90613 1.00000 As37 As 0.24062 0.24103 0.23178 1.00000 As38 As 0.94792 0.30801 0.13245 1.00000 As39 As 0.44787 0.81675 0.14082 1.00000 As40 As 0.66649 0.57262 0.14628 1.00000 As41 As 0.62176 0.12859 0.00036 1.00000 As42 As 0.49215 0.25815 0.00042 1.00000 As43 As 0.27125 0.41646 0.09399 1.00000 As44 As 0.43328 0.07467 0.13231 1.00000