# CIF generated by HEAS from Alexandria entry agm017495230 data_agm017495230 _cell_length_a 12.50041 _cell_length_b 12.50041 _cell_length_c 3.51541 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 475.72475 _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 0.82325 0.82325 0.00000 1.00000 Sc2 Sc 0.17675 0.00000 0.00000 1.00000 Sc3 Sc 0.00000 0.17675 0.00000 1.00000 Sc4 Sc 0.66667 0.33333 0.50000 1.00000 Sc5 Sc 0.33333 0.66667 0.50000 1.00000 Ti1 Ti 0.45475 0.45475 0.50000 1.00000 Ti2 Ti 0.54525 0.00000 0.50000 1.00000 Ti3 Ti 0.00000 0.54525 0.50000 1.00000 Mn1 Mn 0.28790 0.28790 0.00000 1.00000 Mn2 Mn 0.71210 0.00000 0.00000 1.00000 Mn3 Mn 0.00000 0.71210 0.00000 1.00000 Mn4 Mn 0.82593 0.62572 0.50000 1.00000 Mn5 Mn 0.37428 0.20021 0.50000 1.00000 Mn6 Mn 0.79979 0.17407 0.50000 1.00000 Mn7 Mn 0.20021 0.37428 0.50000 1.00000 Mn8 Mn 0.17407 0.79979 0.50000 1.00000 Mn9 Mn 0.62572 0.82593 0.50000 1.00000 Mn10 Mn 0.65382 0.52825 0.00000 1.00000 Mn11 Mn 0.47175 0.12557 0.00000 1.00000 Mn12 Mn 0.87443 0.34618 0.00000 1.00000 Mn13 Mn 0.12557 0.47175 0.00000 1.00000 Mn14 Mn 0.34618 0.87443 0.00000 1.00000 Mn15 Mn 0.52825 0.65382 0.00000 1.00000 Mn16 Mn 0.00000 0.00000 0.50000 1.00000 P1 P 0.17408 0.17408 0.50000 1.00000 P2 P 0.82592 0.00000 0.50000 1.00000 P3 P 0.00000 0.82592 0.50000 1.00000 P4 P 0.83262 0.50802 0.00000 1.00000 P5 P 0.49198 0.32460 0.00000 1.00000 P6 P 0.67540 0.16738 0.00000 1.00000 P7 P 0.32460 0.49198 0.00000 1.00000 P8 P 0.16738 0.67540 0.00000 1.00000 P9 P 0.50802 0.83262 0.00000 1.00000 P10 P 0.65722 0.65722 0.50000 1.00000 P11 P 0.34278 0.00000 0.50000 1.00000 P12 P 0.00000 0.34278 0.50000 1.00000