# generated using pymatgen data_Na4P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94742435 _cell_length_b 12.36899462 _cell_length_c 12.90824766 _cell_angle_alpha 80.95072463 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4P7Ir8 _chemical_formula_sum 'Na8 P14 Ir16' _cell_volume 622.40935439 _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 Na Na0 1 0.75000000 0.78289948 0.56719288 1.0 Na Na1 1 0.25000000 0.21710052 0.43280712 1.0 Na Na2 1 0.75000000 0.48341882 0.70823681 1.0 Na Na3 1 0.25000000 0.51658118 0.29176319 1.0 Na Na4 1 0.75000000 0.71221644 0.88875024 1.0 Na Na5 1 0.25000000 0.09645507 0.79813016 1.0 Na Na6 1 0.75000000 0.90354493 0.20186984 1.0 Na Na7 1 0.25000000 0.28778356 0.11124976 1.0 P P8 1 0.25000000 0.91291844 0.41022458 1.0 P P9 1 0.75000000 0.47500300 0.12913506 1.0 P P10 1 0.25000000 0.52499700 0.87086494 1.0 P P11 1 0.75000000 0.08708156 0.58977542 1.0 P P12 1 0.25000000 0.74128031 0.08259241 1.0 P P13 1 0.75000000 0.25871969 0.91740759 1.0 P P14 1 0.75000000 0.16005431 0.28273816 1.0 P P15 1 0.25000000 0.83994569 0.71726184 1.0 P P16 1 0.25000000 0.06183355 0.09638883 1.0 P P17 1 0.75000000 0.93816645 0.90361117 1.0 P P18 1 0.25000000 0.29947599 0.68660269 1.0 P P19 1 0.75000000 0.70052401 0.31339731 1.0 P P20 1 0.25000000 0.60925626 0.56170752 1.0 P P21 1 0.75000000 0.39074374 0.43829248 1.0 Ir Ir22 1 0.25000000 0.98347211 0.57516049 1.0 Ir Ir23 1 0.75000000 0.01652789 0.42483951 1.0 Ir Ir24 1 0.25000000 0.65805449 0.72554788 1.0 Ir Ir25 1 0.75000000 0.34194551 0.27445212 1.0 Ir Ir26 1 0.25000000 0.55788067 0.04601687 1.0 Ir Ir27 1 0.75000000 0.44211933 0.95398313 1.0 Ir Ir28 1 0.25000000 0.06721731 0.27131993 1.0 Ir Ir29 1 0.75000000 0.93278269 0.72868007 1.0 Ir Ir30 1 0.25000000 0.42286771 0.53063557 1.0 Ir Ir31 1 0.75000000 0.57713229 0.46936443 1.0 Ir Ir32 1 0.25000000 0.91636325 0.00124748 1.0 Ir Ir33 1 0.75000000 0.08363675 0.99875252 1.0 Ir Ir34 1 0.25000000 0.73102059 0.39715553 1.0 Ir Ir35 1 0.75000000 0.26897941 0.60284447 1.0 Ir Ir36 1 0.25000000 0.33644980 0.85533517 1.0 Ir Ir37 1 0.75000000 0.66355020 0.14466483 1.0