# CIF generated by HEAS from Alexandria entry agm003625035 data_agm003625035 _cell_length_a 4.02776 _cell_length_b 4.02801 _cell_length_c 8.59457 _cell_angle_alpha 76.07723 _cell_angle_beta 76.00210 _cell_angle_gamma 60.01124 _cell_volume 115.98851 _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 0.71276 0.15716 0.76465 1.00000 Ti1 Ti 0.29153 0.73737 0.01659 1.00000 Se1 Se 0.11579 0.55911 0.56368 1.00000 Se2 Se 0.58440 0.03093 0.13356 1.00000