# generated using pymatgen data_Tm3P6Ir8W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96433300 _cell_length_b 11.02006477 _cell_length_c 12.71485942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3P6Ir8W _chemical_formula_sum 'Tm6 P12 Ir16 W2' _cell_volume 555.47668859 _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 0.00000000 0.50000000 0.52384314 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47615686 1.0 Tm Tm2 1 0.50000000 0.81916880 0.20460356 1.0 Tm Tm3 1 0.50000000 0.18083120 0.20460356 1.0 Tm Tm4 1 0.00000000 0.68083120 0.79539644 1.0 Tm Tm5 1 0.00000000 0.31916880 0.79539644 1.0 P P6 1 0.50000000 0.50000000 0.87257194 1.0 P P7 1 0.00000000 0.00000000 0.12742806 1.0 P P8 1 0.50000000 0.50000000 0.34911641 1.0 P P9 1 0.00000000 0.00000000 0.65088359 1.0 P P10 1 0.50000000 0.31503934 0.61806886 1.0 P P11 1 0.50000000 0.68496066 0.61806886 1.0 P P12 1 0.00000000 0.18496066 0.38193114 1.0 P P13 1 0.00000000 0.81503934 0.38193114 1.0 P P14 1 0.50000000 0.84496093 0.88469945 1.0 P P15 1 0.50000000 0.15503907 0.88469945 1.0 P P16 1 0.00000000 0.65503907 0.11530055 1.0 P P17 1 0.00000000 0.34496093 0.11530055 1.0 Ir Ir18 1 0.50000000 0.50000000 0.69638974 1.0 Ir Ir19 1 0.00000000 0.00000000 0.30361026 1.0 Ir Ir20 1 0.00000000 0.50000000 0.99677089 1.0 Ir Ir21 1 0.50000000 0.00000000 0.00322911 1.0 Ir Ir22 1 0.50000000 0.33121028 0.97784207 1.0 Ir Ir23 1 0.50000000 0.66878972 0.97784207 1.0 Ir Ir24 1 0.00000000 0.16878972 0.02215793 1.0 Ir Ir25 1 0.00000000 0.83121028 0.02215793 1.0 Ir Ir26 1 0.50000000 0.30073620 0.43341007 1.0 Ir Ir27 1 0.50000000 0.69926380 0.43341007 1.0 Ir Ir28 1 0.00000000 0.19926380 0.56658993 1.0 Ir Ir29 1 0.00000000 0.80073620 0.56658993 1.0 Ir Ir30 1 0.50000000 0.87167422 0.70968838 1.0 Ir Ir31 1 0.50000000 0.12832578 0.70968838 1.0 Ir Ir32 1 0.00000000 0.62832578 0.29031162 1.0 Ir Ir33 1 0.00000000 0.37167422 0.29031162 1.0 W W34 1 0.50000000 0.50000000 0.16128628 1.0 W W35 1 0.00000000 0.00000000 0.83871372 1.0