# CIF generated by HEAS from Alexandria entry agm005487236 data_agm005487236 _cell_length_a 3.92270 _cell_length_b 6.05515 _cell_length_c 6.87950 _cell_angle_alpha 81.96595 _cell_angle_beta 105.31593 _cell_angle_gamma 101.82558 _cell_volume 153.62100 _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 0.50000 0.50000 0.00000 1.00000 Fe1 Fe 0.89020 0.19785 0.96739 1.00000 Fe2 Fe 0.10980 0.80215 0.03261 1.00000 Se1 Se 0.73280 0.90189 0.20081 1.00000 Se2 Se 0.09955 0.42874 0.24979 1.00000 Se3 Se 0.26720 0.09811 0.79919 1.00000 Se4 Se 0.90045 0.57126 0.75021 1.00000