# generated using pymatgen data_Nd6Ni20P13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.71169400 _cell_length_b 12.71174427 _cell_length_c 3.82940348 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99824297 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Ni20P13 _chemical_formula_sum 'Nd6 Ni20 P13' _cell_volume 535.89292784 _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 0.80052388 0.94877091 -0.00000000 1.0 Nd Nd1 1 0.05121213 0.85175324 -0.00000000 1.0 Nd Nd2 1 0.14828333 0.19948048 -0.00000000 1.0 Nd Nd3 1 0.51825604 0.13319430 0.50000000 1.0 Nd Nd4 1 0.86681167 0.38505159 0.50000000 1.0 Nd Nd5 1 0.61492622 0.48174744 0.50000000 1.0 Ni Ni6 1 0.52574247 0.77184620 0.00000000 1.0 Ni Ni7 1 0.22817005 0.75390244 0.00000000 1.0 Ni Ni8 1 0.24610556 0.47422760 -0.00000000 1.0 Ni Ni9 1 -0.00000344 -0.00000606 0.50000000 1.0 Ni Ni10 1 0.40159175 0.80996053 0.50000000 1.0 Ni Ni11 1 0.19011733 0.59168413 0.50000000 1.0 Ni Ni12 1 0.40823890 0.59846820 0.50000000 1.0 Ni Ni13 1 0.66666055 0.33332450 -0.00000000 1.0 Ni Ni14 1 0.77171073 0.69058969 0.00000000 1.0 Ni Ni15 1 0.30942376 0.08113683 0.00000000 1.0 Ni Ni16 1 0.91886741 0.22825365 -0.00000000 1.0 Ni Ni17 1 0.64335453 0.73680956 0.50000000 1.0 Ni Ni18 1 0.26318116 0.90660866 0.50000000 1.0 Ni Ni19 1 0.09342287 0.35657020 0.50000000 1.0 Ni Ni20 1 0.35854640 0.25869512 0.50000000 1.0 Ni Ni21 1 0.74130000 0.09980773 0.50000000 1.0 Ni Ni22 1 0.90013273 0.64148076 0.50000000 1.0 Ni Ni23 1 0.57179131 0.98365424 0.00000000 1.0 Ni Ni24 1 0.01634399 0.58814273 -0.00000000 1.0 Ni Ni25 1 0.41189160 0.42822111 0.00000000 1.0 P P26 1 0.85223332 0.79868043 0.50000000 1.0 P P27 1 0.20132097 0.05356597 0.50000000 1.0 P P28 1 0.94644713 0.14773112 0.50000000 1.0 P P29 1 0.60405036 0.89809879 0.50000000 1.0 P P30 1 0.10188080 0.70594666 0.50000000 1.0 P P31 1 0.29410943 0.39597367 0.50000000 1.0 P P32 1 0.46598978 0.28047845 -0.00000000 1.0 P P33 1 0.71952596 0.18549395 0.00000000 1.0 P P34 1 0.81448329 0.53401707 0.00000000 1.0 P P35 1 0.37422786 0.94417190 0.00000000 1.0 P P36 1 0.05583490 0.43002920 -0.00000000 1.0 P P37 1 0.56996297 0.62579098 0.00000000 1.0 P P38 1 0.33332830 0.66664401 0.00000000 1.0