# CIF generated by HEAS from Alexandria entry agm044320996 data_agm044320996 _cell_length_a 3.27063 _cell_length_b 5.60867 _cell_length_c 5.71611 _cell_angle_alpha 70.32765 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 98.73530 _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 0.50000 0.50000 0.00000 1.00000 Pa2 Pa 0.00000 0.50000 0.50000 1.00000 Ti1 Ti 0.00000 0.00000 0.00000 1.00000 Mo1 Mo 0.50000 0.00000 0.50000 1.00000 N1 N 0.50000 0.78214 0.23186 1.00000 N2 N 0.50000 0.21786 0.76814 1.00000 N3 N 0.00000 0.21853 0.25355 1.00000 N4 N 0.00000 0.78147 0.74645 1.00000