# CIF generated by HEAS from Alexandria entry agm048436751 data_agm048436751 _cell_length_a 9.29022 _cell_length_b 9.29022 _cell_length_c 10.40274 _cell_angle_alpha 66.72910 _cell_angle_beta 113.27090 _cell_angle_gamma 158.20407 _cell_volume 305.19801 _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 Ti1 Ti 0.16706 0.83294 0.50023 1.00000 Ti2 Ti 0.83294 0.16706 0.49977 1.00000 Nb1 Nb 0.50000 0.50000 0.50000 1.00000 Hg1 Hg 0.50000 0.50000 0.00000 1.00000 Hg2 Hg 0.16577 0.83423 0.99660 1.00000 Hg3 Hg 0.83423 0.16577 0.00340 1.00000 Se1 Se 0.65119 0.34881 0.66818 1.00000 Se2 Se 0.31564 0.68436 0.66473 1.00000 Se3 Se 0.34881 0.65119 0.33182 1.00000 Se4 Se 0.98189 0.01811 0.67140 1.00000 Se5 Se 0.01811 0.98189 0.32860 1.00000 Se6 Se 0.68436 0.31564 0.33527 1.00000