# CIF generated by HEAS from Alexandria entry agm005804439 data_agm005804439 _cell_length_a 4.19612 _cell_length_b 5.21919 _cell_length_c 6.49656 _cell_angle_alpha 115.30077 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 128.62937 _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 Pa1 Pa 0.25000 0.16993 0.15903 1.00000 Pa2 Pa 0.75000 0.83007 0.84097 1.00000 Ti1 Ti 0.75000 0.77127 0.33735 1.00000 Ti2 Ti 0.25000 0.22873 0.66265 1.00000 Ni1 Ni 0.25000 0.63929 0.09511 1.00000 Ni2 Ni 0.75000 0.36071 0.90489 1.00000 Ni3 Ni 0.75000 0.33317 0.47830 1.00000 Ni4 Ni 0.25000 0.66683 0.52170 1.00000