# CIF generated by HEAS from Alexandria entry agm004316632 data_agm004316632 _cell_length_a 5.86734 _cell_length_b 5.86734 _cell_length_c 5.86734 _cell_angle_alpha 145.99857 _cell_angle_beta 131.53121 _cell_angle_gamma 60.52449 _cell_volume 83.75209 _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 0.94311 0.44311 0.50000 1.00000 Sc1 Sc 0.55675 0.05675 0.50000 1.00000 Sc2 Sc 0.25022 0.25022 0.00000 1.00000 P1 P 0.74992 0.74992 0.00000 1.00000