# generated using pymatgen data_Ti2Nb3ZnSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24191663 _cell_length_b 8.26610581 _cell_length_c 5.60845086 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.90324163 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Nb3ZnSn3 _chemical_formula_sum 'Ti4 Nb6 Zn2 Sn6' _cell_volume 331.22670218 _cell_formula_units_Z 2 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 Ti Ti0 1 0.00172918 0.27330892 0.75000000 1.0 Ti Ti1 1 0.99827082 0.72669108 0.25000000 1.0 Ti Ti2 1 0.72842026 0.72669108 0.75000000 1.0 Ti Ti3 1 0.27157974 0.27330892 0.25000000 1.0 Nb Nb4 1 0.27063024 0.00000000 0.75000000 1.0 Nb Nb5 1 0.72936976 1.00000000 0.25000000 1.0 Nb Nb6 1 0.33459878 0.66919856 0.50000000 1.0 Nb Nb7 1 0.66540122 0.33080144 0.50000000 1.0 Nb Nb8 1 0.66540122 0.33080144 0.00000000 1.0 Nb Nb9 1 0.33459878 0.66919856 0.00000000 1.0 Zn Zn10 1 0.00000000 0.00000000 0.50000000 1.0 Zn Zn11 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn12 1 0.62106788 0.00000000 0.75000000 1.0 Sn Sn13 1 0.37893212 1.00000000 0.25000000 1.0 Sn Sn14 1 0.99725540 0.61493982 0.75000000 1.0 Sn Sn15 1 0.00274460 0.38506018 0.25000000 1.0 Sn Sn16 1 0.38231558 0.38506018 0.75000000 1.0 Sn Sn17 1 0.61768442 0.61493982 0.25000000 1.0