# generated using pymatgen data_Nd3Ni7P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92349900 _cell_length_b 16.55505500 _cell_length_c 16.57713210 _cell_angle_alpha 60.08679465 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Ni7P5 _chemical_formula_sum 'Nd12 Ni28 P20' _cell_volume 933.30453127 _cell_formula_units_Z 4 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 0.38383800 0.44078100 1.0 Nd Nd1 1 0.00000000 0.44106300 0.17585300 1.0 Nd Nd2 1 0.00000000 0.17514600 0.38405800 1.0 Nd Nd3 1 0.50000000 0.61638500 0.55841300 1.0 Nd Nd4 1 0.50000000 0.55910800 0.82481200 1.0 Nd Nd5 1 0.50000000 0.82457500 0.61636900 1.0 Nd Nd6 1 0.00000000 0.11959300 0.64697200 1.0 Nd Nd7 1 0.00000000 0.64660400 0.23386200 1.0 Nd Nd8 1 0.00000000 0.23585500 0.12033700 1.0 Nd Nd9 1 0.50000000 0.87846500 0.35530900 1.0 Nd Nd10 1 0.50000000 0.35427900 0.76528800 1.0 Nd Nd11 1 0.50000000 0.76612900 0.88012900 1.0 Ni Ni12 1 0.00000000 0.30033800 0.65649800 1.0 Ni Ni13 1 0.00000000 0.65781600 0.04264100 1.0 Ni Ni14 1 0.00000000 0.04153700 0.30192800 1.0 Ni Ni15 1 0.50000000 0.69644100 0.34667000 1.0 Ni Ni16 1 0.50000000 0.34408800 0.95779200 1.0 Ni Ni17 1 0.50000000 0.95678800 0.69679700 1.0 Ni Ni18 1 0.00000000 0.93252400 0.82599300 1.0 Ni Ni19 1 0.00000000 0.82541100 0.24185000 1.0 Ni Ni20 1 0.00000000 0.24853200 0.92631000 1.0 Ni Ni21 1 0.50000000 0.07421900 0.17534400 1.0 Ni Ni22 1 0.50000000 0.17622000 0.75137500 1.0 Ni Ni23 1 0.50000000 0.75031200 0.07380300 1.0 Ni Ni24 1 0.00000000 0.98695500 0.56561000 1.0 Ni Ni25 1 0.00000000 0.56559000 0.44722200 1.0 Ni Ni26 1 0.00000000 0.44674600 0.98669700 1.0 Ni Ni27 1 0.50000000 0.01353000 0.43296200 1.0 Ni Ni28 1 0.50000000 0.43363500 0.55284800 1.0 Ni Ni29 1 0.50000000 0.55382100 0.01397200 1.0 Ni Ni30 1 0.00000000 0.71677100 0.77409600 1.0 Ni Ni31 1 0.00000000 0.77415200 0.50893000 1.0 Ni Ni32 1 0.00000000 0.50991200 0.71620100 1.0 Ni Ni33 1 0.50000000 0.28414500 0.22571100 1.0 Ni Ni34 1 0.50000000 0.22570700 0.49118000 1.0 Ni Ni35 1 0.50000000 0.49091200 0.28336400 1.0 Ni Ni36 1 0.00000000 0.08851100 0.05868300 1.0 Ni Ni37 1 0.50000000 0.94121600 0.14961200 1.0 Ni Ni38 1 0.50000000 0.14995600 0.91029800 1.0 Ni Ni39 1 0.50000000 0.90531000 0.93786700 1.0 P P40 1 0.00000000 0.66707900 0.66637100 1.0 P P41 1 0.50000000 0.33328000 0.33345500 1.0 P P42 1 0.00000000 0.81964100 0.98264400 1.0 P P43 1 0.00000000 0.97831300 0.20229900 1.0 P P44 1 0.00000000 0.19819000 0.81789100 1.0 P P45 1 0.50000000 0.18207000 0.02110700 1.0 P P46 1 0.50000000 0.01904800 0.79521500 1.0 P P47 1 0.50000000 0.79534300 0.18606100 1.0 P P48 1 0.00000000 0.87264900 0.72310400 1.0 P P49 1 0.00000000 0.72311200 0.40439700 1.0 P P50 1 0.00000000 0.40572400 0.87145100 1.0 P P51 1 0.50000000 0.12872300 0.27713200 1.0 P P52 1 0.50000000 0.27727700 0.59480100 1.0 P P53 1 0.50000000 0.59446200 0.12849400 1.0 P P54 1 0.00000000 0.60888600 0.92898200 1.0 P P55 1 0.00000000 0.92870300 0.46263000 1.0 P P56 1 0.00000000 0.46266100 0.60880700 1.0 P P57 1 0.50000000 0.39236300 0.07107700 1.0 P P58 1 0.50000000 0.07079700 0.53803100 1.0 P P59 1 0.50000000 0.53774500 0.39091400 1.0