# generated using pymatgen data_Nd25Ni49P33 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98461445 _cell_length_b 22.35928388 _cell_length_c 22.35928388 _cell_angle_alpha 119.99999835 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd25Ni49P33 _chemical_formula_sum 'Nd25 Ni49 P33' _cell_volume 1725.17328529 _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 0.50000000 0.57266563 0.60853258 1.0 Nd Nd1 1 0.50000000 0.03586695 0.42733437 1.0 Nd Nd2 1 0.50000000 0.03586695 0.60853258 1.0 Nd Nd3 1 0.50000000 0.39146742 0.96413305 1.0 Nd Nd4 1 0.50000000 0.39146742 0.42733437 1.0 Nd Nd5 1 0.50000000 0.57266563 0.96413305 1.0 Nd Nd6 1 0.00000000 0.82244249 0.64488499 1.0 Nd Nd7 1 -0.00000000 0.82244249 0.17755751 1.0 Nd Nd8 1 0.00000000 0.35511501 0.17755751 1.0 Nd Nd9 1 0.50000000 0.57438970 0.14877940 1.0 Nd Nd10 1 0.50000000 0.57438970 0.42561030 1.0 Nd Nd11 1 0.50000000 0.85122060 0.42561030 1.0 Nd Nd12 1 -0.00000000 0.00095397 0.18008369 1.0 Nd Nd13 1 0.00000000 0.17912972 0.99904603 1.0 Nd Nd14 1 -0.00000000 0.17912972 0.18008369 1.0 Nd Nd15 1 -0.00000000 0.81991631 0.82087028 1.0 Nd Nd16 1 -0.00000000 0.81991631 0.99904603 1.0 Nd Nd17 1 0.00000000 0.00095397 0.82087028 1.0 Nd Nd18 1 -0.00000000 0.00000000 0.00000000 1.0 Nd Nd19 1 0.50000000 0.21349875 0.42699750 1.0 Nd Nd20 1 0.50000000 0.21349875 0.78650125 1.0 Nd Nd21 1 0.50000000 0.57300250 0.78650125 1.0 Nd Nd22 1 0.50000000 0.39297448 0.78594897 1.0 Nd Nd23 1 0.50000000 0.39297448 0.60702552 1.0 Nd Nd24 1 0.50000000 0.21405103 0.60702552 1.0 Ni Ni25 1 0.50000000 0.88512885 0.30377619 1.0 Ni Ni26 1 0.50000000 0.41864735 0.11487115 1.0 Ni Ni27 1 0.50000000 0.41864735 0.30377619 1.0 Ni Ni28 1 0.50000000 0.69622381 0.58135265 1.0 Ni Ni29 1 0.50000000 0.69622381 0.11487115 1.0 Ni Ni30 1 0.50000000 0.88512885 0.58135265 1.0 Ni Ni31 1 0.00000000 0.80468053 0.30371866 1.0 Ni Ni32 1 -0.00000000 0.49903813 0.19531947 1.0 Ni Ni33 1 0.00000000 0.49903813 0.30371866 1.0 Ni Ni34 1 0.00000000 0.69628134 0.50096187 1.0 Ni Ni35 1 0.00000000 0.69628134 0.19531947 1.0 Ni Ni36 1 -0.00000000 0.80468053 0.50096187 1.0 Ni Ni37 1 0.50000000 0.69540978 0.75985860 1.0 Ni Ni38 1 0.50000000 0.06444883 0.30459022 1.0 Ni Ni39 1 0.50000000 0.06444883 0.75985860 1.0 Ni Ni40 1 0.50000000 0.24014140 0.93555117 1.0 Ni Ni41 1 0.50000000 0.24014140 0.30459022 1.0 Ni Ni42 1 0.50000000 0.69540978 0.93555117 1.0 Ni Ni43 1 -0.00000000 0.51245905 0.02491810 1.0 Ni Ni44 1 0.00000000 0.51245905 0.48754095 1.0 Ni Ni45 1 -0.00000000 0.97508190 0.48754095 1.0 Ni Ni46 1 -0.00000000 0.63100638 0.26201275 1.0 Ni Ni47 1 0.00000000 0.63100638 0.36899362 1.0 Ni Ni48 1 -0.00000000 0.73798725 0.36899362 1.0 Ni Ni49 1 0.50000000 0.06019394 0.12038789 1.0 Ni Ni50 1 0.50000000 0.06019394 0.93980606 1.0 Ni Ni51 1 0.50000000 0.87961211 0.93980606 1.0 Ni Ni52 1 0.50000000 0.70750110 0.41500219 1.0 Ni Ni53 1 0.50000000 0.70750110 0.29249890 1.0 Ni Ni54 1 0.50000000 0.58499781 0.29249890 1.0 Ni Ni55 1 -0.00000000 0.33333300 0.66666700 1.0 Ni Ni56 1 0.00000000 0.97367080 0.30293720 1.0 Ni Ni57 1 -0.00000000 0.32926640 0.02632920 1.0 Ni Ni58 1 -0.00000000 0.32926640 0.30293720 1.0 Ni Ni59 1 -0.00000000 0.69706280 0.67073360 1.0 Ni Ni60 1 0.00000000 0.69706280 0.02632920 1.0 Ni Ni61 1 -0.00000000 0.97367080 0.67073360 1.0 Ni Ni62 1 0.00000000 0.15104440 0.30208879 1.0 Ni Ni63 1 -0.00000000 0.15104440 0.84895560 1.0 Ni Ni64 1 0.00000000 0.69791121 0.84895560 1.0 Ni Ni65 1 0.50000000 0.88067140 0.76134280 1.0 Ni Ni66 1 0.50000000 0.88067140 0.11932860 1.0 Ni Ni67 1 0.50000000 0.23865720 0.11932860 1.0 Ni Ni68 1 -0.00000000 0.51277830 0.66720561 1.0 Ni Ni69 1 0.00000000 0.15442731 0.48722170 1.0 Ni Ni70 1 0.00000000 0.15442731 0.66720561 1.0 Ni Ni71 1 0.00000000 0.33279439 0.84557269 1.0 Ni Ni72 1 -0.00000000 0.33279439 0.48722170 1.0 Ni Ni73 1 0.00000000 0.51277830 0.84557269 1.0 P P74 1 0.50000000 0.76377806 0.52755612 1.0 P P75 1 0.50000000 0.76377806 0.23622194 1.0 P P76 1 0.50000000 0.47244388 0.23622194 1.0 P P77 1 -0.00000000 0.27372522 0.54745043 1.0 P P78 1 0.00000000 0.27372522 0.72627478 1.0 P P79 1 -0.00000000 0.45254957 0.72627478 1.0 P P80 1 0.00000000 0.45245407 0.90490814 1.0 P P81 1 -0.00000000 0.45245407 0.54754593 1.0 P P82 1 0.00000000 0.09509186 0.54754593 1.0 P P83 1 0.50000000 0.11928351 0.23856701 1.0 P P84 1 0.50000000 0.11928351 0.88071649 1.0 P P85 1 0.50000000 0.76143299 0.88071649 1.0 P P86 1 -0.00000000 0.63157696 0.72676512 1.0 P P87 1 0.00000000 0.09518816 0.36842304 1.0 P P88 1 0.00000000 0.09518816 0.72676512 1.0 P P89 1 0.00000000 0.27323488 0.90481184 1.0 P P90 1 -0.00000000 0.27323488 0.36842304 1.0 P P91 1 0.00000000 0.63157696 0.90481184 1.0 P P92 1 0.00000000 0.91947485 0.37018912 1.0 P P93 1 0.00000000 0.45071427 0.08052515 1.0 P P94 1 -0.00000000 0.45071427 0.37018912 1.0 P P95 1 -0.00000000 0.62981088 0.54928573 1.0 P P96 1 0.00000000 0.62981088 0.08052515 1.0 P P97 1 0.00000000 0.91947485 0.54928573 1.0 P P98 1 0.50000000 0.94058707 0.88117414 1.0 P P99 1 0.50000000 0.94058707 0.05941293 1.0 P P100 1 0.50000000 0.11882586 0.05941293 1.0 P P101 1 0.50000000 0.94194692 0.23850196 1.0 P P102 1 0.50000000 0.29655504 0.05805308 1.0 P P103 1 0.50000000 0.29655504 0.23850196 1.0 P P104 1 0.50000000 0.76149804 0.70344496 1.0 P P105 1 0.50000000 0.76149804 0.05805308 1.0 P P106 1 0.50000000 0.94194692 0.70344496 1.0