# generated using pymatgen data_Nd6Tc5P12Rh13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98221614 _cell_length_b 11.27585661 _cell_length_c 12.75976554 _cell_angle_alpha 89.75818276 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Tc5P12Rh13 _chemical_formula_sum 'Nd6 Tc5 P12 Rh13' _cell_volume 572.94535049 _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 Nd Nd0 1 0.00000000 0.50042538 0.52001918 1.0 Nd Nd1 1 0.50000000 0.00076399 0.47959825 1.0 Nd Nd2 1 0.50000000 0.81795536 0.20281411 1.0 Nd Nd3 1 0.50000000 0.17863835 0.20453008 1.0 Nd Nd4 1 0.00000000 0.68005940 0.79630940 1.0 Nd Nd5 1 0.00000000 0.31859448 0.79704228 1.0 Tc Tc6 1 0.50000000 0.51091467 0.15720097 1.0 Tc Tc7 1 0.00000000 0.99471706 0.84260421 1.0 Tc Tc8 1 0.00000000 0.50334176 0.98913011 1.0 Tc Tc9 1 0.50000000 0.99730309 0.00965791 1.0 Tc Tc10 1 0.50000000 0.33243812 0.99725126 1.0 P P11 1 0.50000000 0.49715509 0.88324407 1.0 P P12 1 0.00000000 0.99818608 0.11544174 1.0 P P13 1 0.50000000 0.49919167 0.33744178 1.0 P P14 1 0.00000000 0.00049247 0.66221935 1.0 P P15 1 0.50000000 0.30821666 0.61760111 1.0 P P16 1 0.50000000 0.69033971 0.61666620 1.0 P P17 1 0.00000000 0.19290334 0.38313287 1.0 P P18 1 0.00000000 0.81094593 0.38336991 1.0 P P19 1 0.50000000 0.85034839 0.89172581 1.0 P P20 1 0.50000000 0.15286196 0.89568372 1.0 P P21 1 0.00000000 0.64875070 0.10928898 1.0 P P22 1 0.00000000 0.34653309 0.10304593 1.0 Rh Rh23 1 0.50000000 0.49957033 0.69545363 1.0 Rh Rh24 1 0.00000000 0.00162803 0.30281389 1.0 Rh Rh25 1 0.50000000 0.67124687 0.98273851 1.0 Rh Rh26 1 0.00000000 0.16543808 0.00781279 1.0 Rh Rh27 1 0.00000000 0.82758584 0.01461940 1.0 Rh Rh28 1 0.50000000 0.29240718 0.43017926 1.0 Rh Rh29 1 0.50000000 0.71018822 0.43071452 1.0 Rh Rh30 1 0.00000000 0.20757811 0.57019924 1.0 Rh Rh31 1 0.00000000 0.79264720 0.56987611 1.0 Rh Rh32 1 0.50000000 0.87654246 0.70880403 1.0 Rh Rh33 1 0.50000000 0.12134770 0.71148367 1.0 Rh Rh34 1 0.00000000 0.62410624 0.29290531 1.0 Rh Rh35 1 0.00000000 0.37863299 0.28737941 1.0