# CIF generated by HEAS from Alexandria entry agm005496580 data_agm005496580 _cell_length_a 12.79096 _cell_length_b 12.79096 _cell_length_c 12.79096 _cell_angle_alpha 16.22195 _cell_angle_beta 16.22195 _cell_angle_gamma 16.22195 _cell_volume 142.38239 _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 0.00000 0.00000 0.00000 1.00000 Ti2 Ti 0.50000 0.50000 0.50000 1.00000 Ti3 Ti 0.91415 0.91415 0.91415 1.00000 Ti4 Ti 0.08585 0.08585 0.08585 1.00000 Se1 Se 0.79234 0.79234 0.79234 1.00000 Se2 Se 0.20766 0.20766 0.20766 1.00000 Se3 Se 0.62438 0.62438 0.62438 1.00000 Se4 Se 0.37562 0.37562 0.37562 1.00000