# CIF generated by HEAS from Alexandria entry agm002017136 data_agm002017136 _cell_length_a 6.02602 _cell_length_b 3.71554 _cell_length_c 5.30049 _cell_angle_alpha 90.00000 _cell_angle_beta 107.19172 _cell_angle_gamma 90.00000 _cell_volume 113.37492 _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 0.25972 0.00000 0.28655 1.00000 Sc2 Sc 0.74028 0.00000 0.71345 1.00000 Sc3 Sc 0.25972 0.50000 0.78655 1.00000 Sc4 Sc 0.74028 0.50000 0.21345 1.00000 B1 B 0.50000 0.50000 0.50000 1.00000 B2 B 0.50000 0.00000 0.00000 1.00000