# CIF generated by HEAS from Alexandria entry agm034163602 data_agm034163602 _cell_length_a 2.95906 _cell_length_b 2.95906 _cell_length_c 10.20005 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 89.31187 _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 Ti2 Ti 0.50000 0.50000 0.70958 1.00000 Ti3 Ti 0.50000 0.50000 0.29042 1.00000 Fe1 Fe 0.00000 0.00000 0.85373 1.00000 Fe2 Fe 0.00000 0.00000 0.14627 1.00000 Hg1 Hg 0.00000 0.00000 0.50000 1.00000