# generated using pymatgen data_Tm3Nb(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91434139 _cell_length_b 11.04773231 _cell_length_c 12.70871823 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Nb(P3Rh4)2 _chemical_formula_sum 'Tm6 Nb2 P12 Rh16' _cell_volume 549.58338319 _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 0.52129034 1.0 Tm Tm1 1 0.50000000 0.00000000 0.47870966 1.0 Tm Tm2 1 0.50000000 0.81870335 0.20250049 1.0 Tm Tm3 1 0.50000000 0.18129665 0.20250049 1.0 Tm Tm4 1 0.00000000 0.68129665 0.79749951 1.0 Tm Tm5 1 0.00000000 0.31870335 0.79749951 1.0 Nb Nb6 1 0.50000000 0.50000000 0.15876201 1.0 Nb Nb7 1 0.00000000 0.00000000 0.84123799 1.0 P P8 1 0.50000000 0.50000000 0.87474244 1.0 P P9 1 0.00000000 0.00000000 0.12525756 1.0 P P10 1 0.50000000 0.50000000 0.35129860 1.0 P P11 1 0.00000000 0.00000000 0.64870140 1.0 P P12 1 0.50000000 0.31428775 0.61743550 1.0 P P13 1 0.50000000 0.68571225 0.61743550 1.0 P P14 1 0.00000000 0.18571225 0.38256450 1.0 P P15 1 0.00000000 0.81428775 0.38256450 1.0 P P16 1 0.50000000 0.84489981 0.88697718 1.0 P P17 1 0.50000000 0.15510019 0.88697718 1.0 P P18 1 0.00000000 0.65510019 0.11302282 1.0 P P19 1 0.00000000 0.34489981 0.11302282 1.0 Rh Rh20 1 0.50000000 0.50000000 0.69670478 1.0 Rh Rh21 1 0.00000000 0.00000000 0.30329522 1.0 Rh Rh22 1 0.00000000 0.50000000 0.98657715 1.0 Rh Rh23 1 0.50000000 0.00000000 0.01342285 1.0 Rh Rh24 1 0.50000000 0.33114272 0.98222466 1.0 Rh Rh25 1 0.50000000 0.66885728 0.98222466 1.0 Rh Rh26 1 0.00000000 0.16885728 0.01777534 1.0 Rh Rh27 1 0.00000000 0.83114272 0.01777534 1.0 Rh Rh28 1 0.50000000 0.29321483 0.43251756 1.0 Rh Rh29 1 0.50000000 0.70678517 0.43251756 1.0 Rh Rh30 1 0.00000000 0.20678517 0.56748244 1.0 Rh Rh31 1 0.00000000 0.79321483 0.56748244 1.0 Rh Rh32 1 0.50000000 0.87330325 0.70610097 1.0 Rh Rh33 1 0.50000000 0.12669675 0.70610097 1.0 Rh Rh34 1 0.00000000 0.62669675 0.29389903 1.0 Rh Rh35 1 0.00000000 0.37330325 0.29389903 1.0