# CIF generated by HEAS from Alexandria entry agm005100714 data_agm005100714 _cell_length_a 4.90211 _cell_length_b 5.46875 _cell_length_c 5.46875 _cell_angle_alpha 120.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 126.96653 _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 Th1 Th 0.50000 0.66667 0.33333 1.00000 Pa1 Pa 0.00000 0.33333 0.66667 1.00000 Ni1 Ni 0.50000 0.00000 0.00000 1.00000 O1 O 0.73819 0.67785 0.70251 1.00000 O2 O 0.73819 0.29749 0.97534 1.00000 O3 O 0.73819 0.02466 0.32215 1.00000 O4 O 0.26181 0.29749 0.32215 1.00000 O5 O 0.26181 0.67785 0.97534 1.00000 O6 O 0.26181 0.02466 0.70251 1.00000