# CIF generated by HEAS from Alexandria entry agm007476151 data_agm007476151 _cell_length_a 5.81437 _cell_length_b 5.81437 _cell_length_c 5.01778 _cell_angle_alpha 75.21758 _cell_angle_beta 75.21758 _cell_angle_gamma 33.78268 _cell_volume 90.90951 _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 0.50000 1.00000 Mn1 Mn 0.23953 0.23953 0.27156 1.00000 Mn2 Mn 0.76047 0.76047 0.72844 1.00000 Tl1 Tl 0.00000 0.00000 0.00000 1.00000 H1 H 0.91924 0.91924 0.63894 1.00000 H2 H 0.72241 0.72241 0.11715 1.00000 H3 H 0.08076 0.08076 0.36106 1.00000 H4 H 0.27759 0.27759 0.88285 1.00000 H5 H 0.57868 0.10128 0.42138 1.00000 H6 H 0.42132 0.89872 0.57862 1.00000 H7 H 0.10128 0.57868 0.42138 1.00000 H8 H 0.89872 0.42132 0.57862 1.00000