# CIF generated by HEAS from Alexandria entry agm071553385 data_agm071553385 _cell_length_a 10.07147 _cell_length_b 10.07147 _cell_length_c 10.07147 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1021.59611 _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 Sc1 Sc 0.12500 0.12500 0.12500 1.00000 Sc2 Sc 0.37500 0.87500 0.62500 1.00000 Sc3 Sc 0.87500 0.62500 0.37500 1.00000 Sc4 Sc 0.62500 0.37500 0.87500 1.00000 Ti1 Ti 0.12500 0.62500 0.62500 1.00000 Ti2 Ti 0.37500 0.37500 0.12500 1.00000 Ti3 Ti 0.87500 0.12500 0.87500 1.00000 Ti4 Ti 0.62500 0.87500 0.37500 1.00000 Ti5 Ti 0.62500 0.12500 0.62500 1.00000 Ti6 Ti 0.12500 0.37500 0.37500 1.00000 Ti7 Ti 0.87500 0.87500 0.12500 1.00000 Ti8 Ti 0.37500 0.62500 0.87500 1.00000 Ti9 Ti 0.62500 0.62500 0.12500 1.00000 Ti10 Ti 0.37500 0.12500 0.37500 1.00000 Ti11 Ti 0.12500 0.87500 0.87500 1.00000 Ti12 Ti 0.87500 0.37500 0.62500 1.00000 Se1 Se 0.86694 0.86694 0.86694 1.00000 Se2 Se 0.63306 0.13306 0.36694 1.00000 Se3 Se 0.13306 0.36694 0.63306 1.00000 Se4 Se 0.36694 0.63306 0.13306 1.00000 Se5 Se 0.11694 0.61694 0.88306 1.00000 Se6 Se 0.38306 0.38306 0.38306 1.00000 Se7 Se 0.61694 0.88306 0.11694 1.00000 Se8 Se 0.88306 0.11694 0.61694 1.00000 S1 S 0.11991 0.86212 0.63357 1.00000 S2 S 0.38009 0.13788 0.13357 1.00000 S3 S 0.88009 0.36212 0.86643 1.00000 S4 S 0.61991 0.63788 0.36643 1.00000 S5 S 0.63357 0.11991 0.86212 1.00000 S6 S 0.13357 0.38009 0.13788 1.00000 S7 S 0.86643 0.88009 0.36212 1.00000 S8 S 0.36643 0.61991 0.63788 1.00000 S9 S 0.86212 0.63357 0.11991 1.00000 S10 S 0.13788 0.13357 0.38009 1.00000 S11 S 0.36212 0.86643 0.88009 1.00000 S12 S 0.63788 0.36643 0.61991 1.00000 S13 S 0.11212 0.86991 0.11643 1.00000 S14 S 0.38788 0.13009 0.61643 1.00000 S15 S 0.61212 0.63009 0.88357 1.00000 S16 S 0.88788 0.36991 0.38357 1.00000 S17 S 0.36991 0.38357 0.88788 1.00000 S18 S 0.63009 0.88357 0.61212 1.00000 S19 S 0.13009 0.61643 0.38788 1.00000 S20 S 0.86991 0.11643 0.11212 1.00000 S21 S 0.88357 0.61212 0.63009 1.00000 S22 S 0.38357 0.88788 0.36991 1.00000 S23 S 0.11643 0.11212 0.86991 1.00000 S24 S 0.61643 0.38788 0.13009 1.00000