# generated using pymatgen data_Tm6ZrP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90733942 _cell_length_b 11.09751160 _cell_length_c 12.66252498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6ZrP12Rh17 _chemical_formula_sum 'Tm6 Zr1 P12 Rh17' _cell_volume 549.06917332 _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 Tm Tm0 1 0.00000000 0.50000000 0.52378010 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47571991 1.0 Tm Tm2 1 0.50000000 0.81822274 0.20723192 1.0 Tm Tm3 1 0.50000000 0.18177726 0.20723192 1.0 Tm Tm4 1 0.00000000 0.68049945 0.79594741 1.0 Tm Tm5 1 0.00000000 0.31950055 0.79594741 1.0 Zr Zr6 1 0.50000000 0.50000000 0.15755155 1.0 P P7 1 0.50000000 0.50000000 0.87517445 1.0 P P8 1 0.00000000 0.00000000 0.12150239 1.0 P P9 1 0.50000000 0.50000000 0.36213249 1.0 P P10 1 0.00000000 0.00000000 0.64670744 1.0 P P11 1 0.50000000 0.31526360 0.62068370 1.0 P P12 1 0.50000000 0.68473640 0.62068370 1.0 P P13 1 0.00000000 0.18445312 0.38339513 1.0 P P14 1 0.00000000 0.81554688 0.38339513 1.0 P P15 1 0.50000000 0.84912757 0.88798279 1.0 P P16 1 0.50000000 0.15087243 0.88798279 1.0 P P17 1 0.00000000 0.66122987 0.10820643 1.0 P P18 1 0.00000000 0.33877013 0.10820643 1.0 Rh Rh19 1 0.00000000 0.00000000 0.82870296 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69872960 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29915056 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98470449 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01847626 1.0 Rh Rh24 1 0.50000000 0.32933572 0.98329121 1.0 Rh Rh25 1 0.50000000 0.67066428 0.98329121 1.0 Rh Rh26 1 0.00000000 0.16479018 0.00892107 1.0 Rh Rh27 1 0.00000000 0.83520982 0.00892107 1.0 Rh Rh28 1 0.50000000 0.29143948 0.43589912 1.0 Rh Rh29 1 0.50000000 0.70856052 0.43589912 1.0 Rh Rh30 1 0.00000000 0.19810647 0.56992399 1.0 Rh Rh31 1 0.00000000 0.80189353 0.56992399 1.0 Rh Rh32 1 0.50000000 0.87374855 0.70930007 1.0 Rh Rh33 1 0.50000000 0.12625145 0.70930007 1.0 Rh Rh34 1 0.00000000 0.62936874 0.29305007 1.0 Rh Rh35 1 0.00000000 0.37063126 0.29305007 1.0