# CIF generated by HEAS from Alexandria entry agm005239063 data_agm005239063 _cell_length_a 6.30735 _cell_length_b 8.63385 _cell_length_c 8.59860 _cell_angle_alpha 96.13034 _cell_angle_beta 99.66619 _cell_angle_gamma 114.83756 _cell_volume 410.59534 _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 0.37507 0.27517 0.38184 1.00000 Ca2 Ca 0.62493 0.72483 0.61816 1.00000 B1 B 0.45825 0.21958 0.96878 1.00000 B2 B 0.54175 0.78042 0.03122 1.00000 B3 B 0.52226 0.32981 0.72648 1.00000 B4 B 0.47774 0.67019 0.27352 1.00000 B5 B 0.29931 0.00236 0.70535 1.00000 B6 B 0.70069 0.99764 0.29465 1.00000 O1 O 0.56925 0.35738 0.89401 1.00000 O2 O 0.43075 0.64262 0.10599 1.00000 O3 O 0.35285 0.04982 0.88229 1.00000 O4 O 0.64715 0.95018 0.11771 1.00000 O5 O 0.38561 0.15877 0.63451 1.00000 O6 O 0.61439 0.84123 0.36549 1.00000 O7 O 0.43592 0.24696 0.12237 1.00000 O8 O 0.56408 0.75304 0.87763 1.00000 O9 O 0.02301 0.32220 0.79142 1.00000 O10 O 0.97699 0.67780 0.20858 1.00000 O11 O 0.59176 0.45651 0.64179 1.00000 O12 O 0.40824 0.54349 0.35821 1.00000 O13 O 0.39446 0.88387 0.65419 1.00000 O14 O 0.60554 0.11613 0.34581 1.00000 O15 O 0.05098 0.88314 0.63741 1.00000 O16 O 0.94902 0.11686 0.36259 1.00000 O17 O 0.01849 0.05484 0.05700 1.00000 O18 O 0.98151 0.94516 0.94300 1.00000 O19 O 0.07479 0.43504 0.70946 1.00000 O20 O 0.92521 0.56496 0.29054 1.00000