# generated using pymatgen data_Tm4P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91874697 _cell_length_b 12.48940693 _cell_length_c 13.01792581 _cell_angle_alpha 81.06154934 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4P7Ir8 _chemical_formula_sum 'Tm8 P14 Ir16' _cell_volume 629.39660029 _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 Tm Tm0 1 0.75000000 0.79053463 0.56274843 1.0 Tm Tm1 1 0.25000000 0.20946537 0.43725157 1.0 Tm Tm2 1 0.75000000 0.47939224 0.70717906 1.0 Tm Tm3 1 0.25000000 0.52060776 0.29282094 1.0 Tm Tm4 1 0.75000000 0.72003624 0.89877286 1.0 Tm Tm5 1 0.25000000 0.10256552 0.79148632 1.0 Tm Tm6 1 0.75000000 0.89743448 0.20851368 1.0 Tm Tm7 1 0.25000000 0.27996376 0.10122714 1.0 P P8 1 0.25000000 0.90681660 0.41280128 1.0 P P9 1 0.75000000 0.46968507 0.12888144 1.0 P P10 1 0.25000000 0.53031493 0.87111856 1.0 P P11 1 0.75000000 0.09318340 0.58719872 1.0 P P12 1 0.25000000 0.74243350 0.07988007 1.0 P P13 1 0.75000000 0.25756650 0.92011993 1.0 P P14 1 0.75000000 0.15631068 0.28221717 1.0 P P15 1 0.25000000 0.84368932 0.71778283 1.0 P P16 1 0.25000000 0.05209369 0.10109002 1.0 P P17 1 0.75000000 0.94790631 0.89890998 1.0 P P18 1 0.25000000 0.31176879 0.68936488 1.0 P P19 1 0.75000000 0.68823121 0.31063512 1.0 P P20 1 0.25000000 0.60891800 0.56672290 1.0 P P21 1 0.75000000 0.39108200 0.43327710 1.0 Ir Ir22 1 0.25000000 0.99052833 0.57573838 1.0 Ir Ir23 1 0.75000000 0.00947167 0.42426162 1.0 Ir Ir24 1 0.25000000 0.66207372 0.72946908 1.0 Ir Ir25 1 0.75000000 0.33792628 0.27053092 1.0 Ir Ir26 1 0.25000000 0.55145191 0.04878734 1.0 Ir Ir27 1 0.75000000 0.44854809 0.95121266 1.0 Ir Ir28 1 0.25000000 0.05903790 0.27349150 1.0 Ir Ir29 1 0.75000000 0.94096210 0.72650850 1.0 Ir Ir30 1 0.25000000 0.42157841 0.52268958 1.0 Ir Ir31 1 0.75000000 0.57842159 0.47731042 1.0 Ir Ir32 1 0.25000000 0.91555270 0.99710248 1.0 Ir Ir33 1 0.75000000 0.08444730 0.00289752 1.0 Ir Ir34 1 0.25000000 0.72891318 0.39591121 1.0 Ir Ir35 1 0.75000000 0.27108682 0.60408879 1.0 Ir Ir36 1 0.25000000 0.34050297 0.85850742 1.0 Ir Ir37 1 0.75000000 0.65949703 0.14149258 1.0