# generated using pymatgen data_TmTi2(Nb2Sn3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73749502 _cell_length_b 5.74490882 _cell_length_c 9.62970050 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.95736177 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmTi2(Nb2Sn3)2 _chemical_formula_sum 'Tm1 Ti2 Nb4 Sn6' _cell_volume 275.00165540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tm Tm0 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.50000000 0.00000000 0.75106887 1.0 Ti Ti2 1 0.50000000 0.00000000 0.24893113 1.0 Nb Nb3 1 0.00000000 0.50000000 0.75162781 1.0 Nb Nb4 1 0.50000000 0.50000000 0.75162876 1.0 Nb Nb5 1 0.00000000 0.50000000 0.24837219 1.0 Nb Nb6 1 0.50000000 0.50000000 0.24837124 1.0 Sn Sn7 1 0.66328867 0.32656958 0.50000000 1.0 Sn Sn8 1 0.33671133 0.67343042 0.50000000 1.0 Sn Sn9 1 0.66430051 0.32858590 0.00000000 1.0 Sn Sn10 1 0.33569949 0.67141410 0.00000000 1.0 Sn Sn11 1 0.00000000 0.00000000 0.68137181 1.0 Sn Sn12 1 0.00000000 0.00000000 0.31862819 1.0