# generated using pymatgen data_Zr7Nb3Sn6P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72551508 _cell_length_b 8.47074171 _cell_length_c 8.47074284 _cell_angle_alpha 119.99999931 _cell_angle_beta 90.00002307 _cell_angle_gamma 89.99996880 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr7Nb3Sn6P _chemical_formula_sum 'Zr7 Nb3 Sn6 P1' _cell_volume 355.78540957 _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 Zr Zr0 1 0.00000000 0.33333400 0.66666600 1.0 Zr Zr1 1 0.75780345 0.25066985 0.00014554 1.0 Zr Zr2 1 0.75780245 0.74947968 0.74933015 1.0 Zr Zr3 1 0.75780145 0.99985546 0.25052432 1.0 Zr Zr4 1 0.24219655 0.74947568 0.00014554 1.0 Zr Zr5 1 0.24219855 0.25067085 0.25052432 1.0 Zr Zr6 1 0.24219755 0.99985346 0.74933015 1.0 Nb Nb7 1 0.50000000 0.33333300 0.66666600 1.0 Nb Nb8 1 0.50000000 0.66666600 0.33333300 1.0 Nb Nb9 1 0.00000000 0.66666600 0.33333100 1.0 Sn Sn10 1 0.74696893 0.60463267 0.00261291 1.0 Sn Sn11 1 0.74697093 0.39798124 0.39536933 1.0 Sn Sn12 1 0.74697093 0.99738609 0.60201776 1.0 Sn Sn13 1 0.25303107 0.39798024 0.00261291 1.0 Sn Sn14 1 0.25302907 0.60463267 0.60201776 1.0 Sn Sn15 1 0.25302907 0.99738709 0.39536933 1.0 P P16 1 0.49999900 0.00000200 0.00000200 1.0