# generated using pymatgen data_Tm2Th(P2Rh3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92984398 _cell_length_b 11.10999687 _cell_length_c 12.68604450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Th(P2Rh3)3 _chemical_formula_sum 'Tm4 Th2 P12 Rh18' _cell_volume 553.87973494 _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 0.50000000 0.81494419 0.20570098 1.0 Tm Tm1 1 0.50000000 0.18505581 0.20570098 1.0 Tm Tm2 1 0.00000000 0.68505581 0.79429902 1.0 Tm Tm3 1 0.00000000 0.31494419 0.79429902 1.0 Th Th4 1 0.00000000 0.50000000 0.52567236 1.0 Th Th5 1 0.50000000 0.00000000 0.47432764 1.0 P P6 1 0.50000000 0.50000000 0.87956645 1.0 P P7 1 0.00000000 0.00000000 0.12043355 1.0 P P8 1 0.50000000 0.50000000 0.34792001 1.0 P P9 1 0.00000000 0.00000000 0.65207999 1.0 P P10 1 0.50000000 0.31200194 0.62179619 1.0 P P11 1 0.50000000 0.68799806 0.62179619 1.0 P P12 1 0.00000000 0.18799806 0.37820381 1.0 P P13 1 0.00000000 0.81200194 0.37820381 1.0 P P14 1 0.50000000 0.84523604 0.89355508 1.0 P P15 1 0.50000000 0.15476396 0.89355508 1.0 P P16 1 0.00000000 0.65476396 0.10644492 1.0 P P17 1 0.00000000 0.34523604 0.10644492 1.0 Rh Rh18 1 0.50000000 0.50000000 0.16801562 1.0 Rh Rh19 1 0.00000000 0.00000000 0.83198438 1.0 Rh Rh20 1 0.50000000 0.50000000 0.70379496 1.0 Rh Rh21 1 0.00000000 0.00000000 0.29620504 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98054639 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01945361 1.0 Rh Rh24 1 0.50000000 0.33356281 0.99195899 1.0 Rh Rh25 1 0.50000000 0.66643719 0.99195899 1.0 Rh Rh26 1 0.00000000 0.16643719 0.00804101 1.0 Rh Rh27 1 0.00000000 0.83356281 0.00804101 1.0 Rh Rh28 1 0.50000000 0.29900082 0.43064764 1.0 Rh Rh29 1 0.50000000 0.70099918 0.43064764 1.0 Rh Rh30 1 0.00000000 0.20099918 0.56935236 1.0 Rh Rh31 1 0.00000000 0.79900082 0.56935236 1.0 Rh Rh32 1 0.50000000 0.87143649 0.71413739 1.0 Rh Rh33 1 0.50000000 0.12856351 0.71413739 1.0 Rh Rh34 1 0.00000000 0.62856351 0.28586261 1.0 Rh Rh35 1 0.00000000 0.37143649 0.28586261 1.0