# generated using pymatgen data_Pa3TiSn3Sb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19416297 _cell_length_b 9.19416354 _cell_length_c 6.12220107 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.04505191 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa3TiSn3Sb2 _chemical_formula_sum 'Pa6 Ti2 Sn6 Sb4' _cell_volume 447.98689036 _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 Pa Pa0 1 0.60849628 0.00275848 0.75000000 1.0 Pa Pa1 1 0.39150372 0.99724152 0.25000000 1.0 Pa Pa2 1 0.00275848 0.60849628 0.75000000 1.0 Pa Pa3 1 0.99724152 0.39150372 0.25000000 1.0 Pa Pa4 1 0.38609600 0.38609600 0.75000000 1.0 Pa Pa5 1 0.61390400 0.61390400 0.25000000 1.0 Ti Ti6 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti7 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn8 1 0.73710405 0.73710405 0.75000000 1.0 Sn Sn9 1 0.26289595 0.26289595 0.25000000 1.0 Sn Sn10 1 0.33567229 0.66432771 0.50000000 1.0 Sn Sn11 1 0.66432771 0.33567229 0.50000000 1.0 Sn Sn12 1 0.66432771 0.33567229 0.00000000 1.0 Sn Sn13 1 0.33567229 0.66432771 0.00000000 1.0 Sb Sb14 1 0.25945528 0.99894854 0.75000000 1.0 Sb Sb15 1 0.74054472 0.00105146 0.25000000 1.0 Sb Sb16 1 0.99894854 0.25945528 0.75000000 1.0 Sb Sb17 1 0.00105146 0.74054472 0.25000000 1.0