# CIF generated by HEAS from Alexandria entry agm017603901 data_agm017603901 _cell_length_a 6.42755 _cell_length_b 6.42755 _cell_length_c 6.46158 _cell_angle_alpha 80.41757 _cell_angle_beta 99.58243 _cell_angle_gamma 60.03716 _cell_volume 218.09344 _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 0.08086 0.57939 0.24099 1.00000 Sc2 Sc 0.25964 0.74036 0.75743 1.00000 Sc3 Sc 0.91914 0.42061 0.75901 1.00000 Sc4 Sc 0.57939 0.08086 0.75901 1.00000 Sc5 Sc 0.42061 0.91914 0.24099 1.00000 Sc6 Sc 0.74036 0.25964 0.24257 1.00000 P1 P 0.33315 0.33315 0.00000 1.00000 P2 P 0.66685 0.66685 0.00000 1.00000 S1 S 0.00000 0.00000 0.00000 1.00000 S2 S 0.50000 0.50000 0.50000 1.00000 S3 S 0.83456 0.83456 0.50000 1.00000 S4 S 0.16544 0.16544 0.50000 1.00000