# CIF generated by HEAS from Alexandria entry agm008108398 data_agm008108398 _cell_length_a 7.67321 _cell_length_b 7.67321 _cell_length_c 14.18879 _cell_angle_alpha 89.23535 _cell_angle_beta 89.23535 _cell_angle_gamma 60.51327 _cell_volume 727.11174 _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 0.50000 0.50000 0.00000 1.00000 Ca2 Ca 0.50000 0.00000 0.50000 1.00000 Ca3 Ca 0.00000 0.50000 0.50000 1.00000 Sc1 Sc 0.99527 0.99527 0.74968 1.00000 Sc2 Sc 0.00473 0.00473 0.25032 1.00000 Sc3 Sc 0.49638 0.49638 0.74132 1.00000 Sc4 Sc 0.50362 0.50362 0.25868 1.00000 Sc5 Sc 0.50687 0.99967 0.75875 1.00000 Sc6 Sc 0.49313 0.00033 0.24125 1.00000 Sc7 Sc 0.99967 0.50687 0.75875 1.00000 Sc8 Sc 0.00033 0.49313 0.24125 1.00000 Se1 Se 0.82943 0.82943 0.35862 1.00000 Se2 Se 0.83274 0.83274 0.86288 1.00000 Se3 Se 0.32912 0.32912 0.36195 1.00000 Se4 Se 0.33371 0.33371 0.86153 1.00000 Se5 Se 0.33154 0.83734 0.36327 1.00000 Se6 Se 0.33126 0.82530 0.85590 1.00000 Se7 Se 0.83734 0.33154 0.36327 1.00000 Se8 Se 0.82530 0.33126 0.85590 1.00000 Se9 Se 0.16266 0.66846 0.63673 1.00000 Se10 Se 0.17470 0.66874 0.14410 1.00000 Se11 Se 0.66846 0.16266 0.63673 1.00000 Se12 Se 0.66874 0.17470 0.14410 1.00000 Se13 Se 0.67088 0.67088 0.63805 1.00000 Se14 Se 0.66629 0.66629 0.13847 1.00000 Se15 Se 0.17057 0.17057 0.64138 1.00000 Se16 Se 0.16726 0.16726 0.13712 1.00000