# CIF generated by HEAS from Alexandria entry agm005642575 data_agm005642575 _cell_length_a 3.74127 _cell_length_b 5.31089 _cell_length_c 6.51493 _cell_angle_alpha 114.05377 _cell_angle_beta 106.69350 _cell_angle_gamma 90.00000 _cell_volume 112.20652 _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 0.50000 0.50000 0.00000 1.00000 Sc2 Sc 0.16620 0.16614 0.33228 1.00000 Sc3 Sc 0.83380 0.83386 0.66772 1.00000 Si1 Si 0.50000 0.00000 0.00000 1.00000 S1 S 0.16743 0.66696 0.33392 1.00000 S2 S 0.83257 0.33304 0.66608 1.00000