# generated using pymatgen data_Nd3Si4Ni29 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.86275200 _cell_length_b 10.86275200 _cell_length_c 7.64417500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Si4Ni29 _chemical_formula_sum 'Nd6 Si8 Ni58' _cell_volume 902.00791836 _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 Nd Nd0 1 0.00000000 0.00000000 0.50000000 1.0 Nd Nd1 1 0.50000000 0.50000000 0.50000000 1.0 Nd Nd2 1 0.25000000 0.75000000 0.00000000 1.0 Nd Nd3 1 0.25000000 0.25000000 0.00000000 1.0 Nd Nd4 1 0.75000000 0.75000000 0.00000000 1.0 Nd Nd5 1 0.75000000 0.25000000 0.00000000 1.0 Si Si6 1 0.50000000 0.68711300 0.81938800 1.0 Si Si7 1 0.50000000 0.31288700 0.81938800 1.0 Si Si8 1 0.18711300 0.00000000 0.81938800 1.0 Si Si9 1 0.81288700 0.00000000 0.81938800 1.0 Si Si10 1 0.00000000 0.81288700 0.18061200 1.0 Si Si11 1 0.00000000 0.18711300 0.18061200 1.0 Si Si12 1 0.31288700 0.50000000 0.18061200 1.0 Si Si13 1 0.68711300 0.50000000 0.18061200 1.0 Ni Ni14 1 0.50000000 0.00000000 0.52489300 1.0 Ni Ni15 1 0.00000000 0.50000000 0.47510700 1.0 Ni Ni16 1 0.50000000 0.77090100 0.51894900 1.0 Ni Ni17 1 0.50000000 0.22909900 0.51894900 1.0 Ni Ni18 1 0.27090100 0.00000000 0.51894900 1.0 Ni Ni19 1 0.72909900 0.00000000 0.51894900 1.0 Ni Ni20 1 0.00000000 0.72909900 0.48105100 1.0 Ni Ni21 1 0.00000000 0.27090100 0.48105100 1.0 Ni Ni22 1 0.22909900 0.50000000 0.48105100 1.0 Ni Ni23 1 0.77090100 0.50000000 0.48105100 1.0 Ni Ni24 1 0.50000000 0.38206800 0.12006800 1.0 Ni Ni25 1 0.50000000 0.61793200 0.12006800 1.0 Ni Ni26 1 0.88206800 0.00000000 0.12006800 1.0 Ni Ni27 1 0.11793200 0.00000000 0.12006800 1.0 Ni Ni28 1 0.00000000 0.11793200 0.87993200 1.0 Ni Ni29 1 0.00000000 0.88206800 0.87993200 1.0 Ni Ni30 1 0.61793200 0.50000000 0.87993200 1.0 Ni Ni31 1 0.38206800 0.50000000 0.87993200 1.0 Ni Ni32 1 0.50000000 0.84117000 0.02864800 1.0 Ni Ni33 1 0.50000000 0.15883000 0.02864800 1.0 Ni Ni34 1 0.34117000 0.00000000 0.02864800 1.0 Ni Ni35 1 0.65883000 0.00000000 0.02864800 1.0 Ni Ni36 1 0.00000000 0.65883000 0.97135200 1.0 Ni Ni37 1 0.00000000 0.34117000 0.97135200 1.0 Ni Ni38 1 0.15883000 0.50000000 0.97135200 1.0 Ni Ni39 1 0.84117000 0.50000000 0.97135200 1.0 Ni Ni40 1 0.61597100 0.11597100 0.75097000 1.0 Ni Ni41 1 0.61597100 0.88402900 0.75097000 1.0 Ni Ni42 1 0.38402900 0.11597100 0.75097000 1.0 Ni Ni43 1 0.38402900 0.88402900 0.75097000 1.0 Ni Ni44 1 0.88402900 0.38402900 0.24903000 1.0 Ni Ni45 1 0.88402900 0.61597100 0.24903000 1.0 Ni Ni46 1 0.11597100 0.38402900 0.24903000 1.0 Ni Ni47 1 0.11597100 0.61597100 0.24903000 1.0 Ni Ni48 1 0.61167600 0.11167600 0.29802100 1.0 Ni Ni49 1 0.61167600 0.88832400 0.29802100 1.0 Ni Ni50 1 0.38832400 0.11167600 0.29802100 1.0 Ni Ni51 1 0.38832400 0.88832400 0.29802100 1.0 Ni Ni52 1 0.88832400 0.38832400 0.70197900 1.0 Ni Ni53 1 0.88832400 0.61167600 0.70197900 1.0 Ni Ni54 1 0.11167600 0.38832400 0.70197900 1.0 Ni Ni55 1 0.11167600 0.61167600 0.70197900 1.0 Ni Ni56 1 0.66501600 0.32334500 0.34185400 1.0 Ni Ni57 1 0.66501600 0.67665500 0.34185400 1.0 Ni Ni58 1 0.33498400 0.32334500 0.34185400 1.0 Ni Ni59 1 0.33498400 0.67665500 0.34185400 1.0 Ni Ni60 1 0.82334500 0.16501600 0.34185400 1.0 Ni Ni61 1 0.82334500 0.83498400 0.34185400 1.0 Ni Ni62 1 0.17665500 0.16501600 0.34185400 1.0 Ni Ni63 1 0.17665500 0.83498400 0.34185400 1.0 Ni Ni64 1 0.83498400 0.17665500 0.65814600 1.0 Ni Ni65 1 0.83498400 0.82334500 0.65814600 1.0 Ni Ni66 1 0.16501600 0.17665500 0.65814600 1.0 Ni Ni67 1 0.16501600 0.82334500 0.65814600 1.0 Ni Ni68 1 0.67665500 0.33498400 0.65814600 1.0 Ni Ni69 1 0.67665500 0.66501600 0.65814600 1.0 Ni Ni70 1 0.32334500 0.33498400 0.65814600 1.0 Ni Ni71 1 0.32334500 0.66501600 0.65814600 1.0