# generated using pymatgen data_Na2Tm2P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91436900 _cell_length_b 12.48423214 _cell_length_c 13.08933970 _cell_angle_alpha 80.40427297 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Tm2P7Ir8 _chemical_formula_sum 'Na4 Tm4 P14 Ir16' _cell_volume 630.69876994 _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 0.71401473 0.89342372 1.0 Na Na1 1 0.25000000 0.09992890 0.79631291 1.0 Na Na2 1 0.75000000 0.90007110 0.20368709 1.0 Na Na3 1 0.25000000 0.28598527 0.10657628 1.0 Tm Tm4 1 0.75000000 0.78779693 0.56385675 1.0 Tm Tm5 1 0.25000000 0.21220307 0.43614325 1.0 Tm Tm6 1 0.75000000 0.48044041 0.70629987 1.0 Tm Tm7 1 0.25000000 0.51955959 0.29370013 1.0 P P8 1 0.25000000 0.91012253 0.41178694 1.0 P P9 1 0.75000000 0.47284298 0.12783097 1.0 P P10 1 0.25000000 0.52715702 0.87216903 1.0 P P11 1 0.75000000 0.08987747 0.58821306 1.0 P P12 1 0.25000000 0.74192413 0.07900079 1.0 P P13 1 0.75000000 0.25807587 0.92099921 1.0 P P14 1 0.75000000 0.15866834 0.28040717 1.0 P P15 1 0.25000000 0.84133166 0.71959283 1.0 P P16 1 0.25000000 0.05885095 0.09804121 1.0 P P17 1 0.75000000 0.94114905 0.90195879 1.0 P P18 1 0.25000000 0.30391091 0.69021617 1.0 P P19 1 0.75000000 0.69608909 0.30978383 1.0 P P20 1 0.25000000 0.60983684 0.56262704 1.0 P P21 1 0.75000000 0.39016316 0.43737296 1.0 Ir Ir22 1 0.25000000 0.98163843 0.57505636 1.0 Ir Ir23 1 0.75000000 0.01836157 0.42494364 1.0 Ir Ir24 1 0.25000000 0.65698323 0.72339954 1.0 Ir Ir25 1 0.75000000 0.34301677 0.27660046 1.0 Ir Ir26 1 0.25000000 0.55478907 0.04848835 1.0 Ir Ir27 1 0.75000000 0.44521093 0.95151165 1.0 Ir Ir28 1 0.25000000 0.06511430 0.27077365 1.0 Ir Ir29 1 0.75000000 0.93488570 0.72922635 1.0 Ir Ir30 1 0.25000000 0.42207491 0.52579696 1.0 Ir Ir31 1 0.75000000 0.57792509 0.47420304 1.0 Ir Ir32 1 0.25000000 0.91763347 0.99964624 1.0 Ir Ir33 1 0.75000000 0.08236653 0.00035376 1.0 Ir Ir34 1 0.25000000 0.72945175 0.39866103 1.0 Ir Ir35 1 0.75000000 0.27054825 0.60133897 1.0 Ir Ir36 1 0.25000000 0.33997258 0.85710321 1.0 Ir Ir37 1 0.75000000 0.66002742 0.14289679 1.0