# CIF generated by HEAS from Alexandria entry agm005620175 data_agm005620175 _cell_length_a 3.72330 _cell_length_b 3.72330 _cell_length_c 8.71835 _cell_angle_alpha 89.99671 _cell_angle_beta 90.00331 _cell_angle_gamma 89.99994 _cell_volume 120.86225 _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 Zr1 Zr 0.74998 0.25002 0.57231 1.00000 Zr2 Zr 0.25002 0.74998 0.42769 1.00000 Sc1 Sc 0.75001 0.24999 0.17206 1.00000 Sc2 Sc 0.24999 0.75001 0.82794 1.00000 S1 S 0.25001 0.74999 0.12953 1.00000 S2 S 0.74999 0.25001 0.87047 1.00000