# generated using pymatgen data_Zr6Ti4Sn6P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66852386 _cell_length_b 8.40331260 _cell_length_c 8.40332227 _cell_angle_alpha 119.99997458 _cell_angle_beta 89.99998297 _cell_angle_gamma 90.00004508 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ti4Sn6P _chemical_formula_sum 'Zr6 Ti4 Sn6 P1' _cell_volume 346.65882502 _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 0.75935911 0.24910986 0.00000000 1.0 Zr Zr1 1 0.75935511 0.75089114 0.75089014 1.0 Zr Zr2 1 0.75935511 1.00000000 0.24910986 1.0 Zr Zr3 1 0.24064089 0.75089014 1.00000000 1.0 Zr Zr4 1 0.24064489 0.24911086 0.24910986 1.0 Zr Zr5 1 0.24064489 0.00000100 0.75089014 1.0 Ti Ti6 1 0.50000000 0.33333300 0.66666700 1.0 Ti Ti7 1 0.50000000 0.66666600 0.33333300 1.0 Ti Ti8 1 0.00000000 0.66666600 0.33333100 1.0 Ti Ti9 1 0.00000000 0.33333500 0.66666900 1.0 Sn Sn10 1 0.74780561 0.60003988 1.00000000 1.0 Sn Sn11 1 0.74780761 0.39996012 0.39996012 1.0 Sn Sn12 1 0.74780761 0.00000000 0.60003988 1.0 Sn Sn13 1 0.25219439 0.39996012 0.00000000 1.0 Sn Sn14 1 0.25219239 0.60003988 0.60003988 1.0 Sn Sn15 1 0.25219239 1.00000000 0.39996012 1.0 P P16 1 0.49999900 0.00000100 0.00000000 1.0