# generated using pymatgen data_NdAl5Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13880165 _cell_length_b 7.30788468 _cell_length_c 20.61980858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdAl5Pt3 _chemical_formula_sum 'Nd4 Al20 Pt12' _cell_volume 623.66436258 _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 0.25000000 0.11672089 0.63985403 1.0 Nd Nd1 1 0.75000000 0.88327911 0.36014597 1.0 Nd Nd2 1 0.25000000 0.38327911 0.13985403 1.0 Nd Nd3 1 0.75000000 0.61672089 0.86014597 1.0 Al Al4 1 0.75000000 0.35415941 0.38318057 1.0 Al Al5 1 0.75000000 0.88682958 0.98292525 1.0 Al Al6 1 0.75000000 0.68874449 0.20053919 1.0 Al Al7 1 0.25000000 0.86883260 0.49218859 1.0 Al Al8 1 0.25000000 0.63116740 0.99218859 1.0 Al Al9 1 0.25000000 0.31125551 0.79946081 1.0 Al Al10 1 0.75000000 0.07517785 0.20866537 1.0 Al Al11 1 0.25000000 0.64584059 0.61681943 1.0 Al Al12 1 0.25000000 0.57517785 0.29133463 1.0 Al Al13 1 0.25000000 0.18874449 0.29946081 1.0 Al Al14 1 0.75000000 0.14584059 0.88318057 1.0 Al Al15 1 0.25000000 0.92482215 0.79133463 1.0 Al Al16 1 0.75000000 0.36883260 0.00781141 1.0 Al Al17 1 0.75000000 0.61317042 0.48292525 1.0 Al Al18 1 0.75000000 0.13116740 0.50781141 1.0 Al Al19 1 0.25000000 0.11317042 0.01707475 1.0 Al Al20 1 0.25000000 0.85415941 0.11681943 1.0 Al Al21 1 0.25000000 0.38682958 0.51707475 1.0 Al Al22 1 0.75000000 0.42482215 0.70866537 1.0 Al Al23 1 0.75000000 0.81125551 0.70053919 1.0 Pt Pt24 1 0.75000000 0.38330776 0.26258330 1.0 Pt Pt25 1 0.25000000 0.88330776 0.23741670 1.0 Pt Pt26 1 0.25000000 0.61669224 0.73741670 1.0 Pt Pt27 1 0.75000000 0.11669224 0.76258330 1.0 Pt Pt28 1 0.25000000 0.16340122 0.42769808 1.0 Pt Pt29 1 0.75000000 0.42132025 0.58446838 1.0 Pt Pt30 1 0.75000000 0.07867975 0.08446838 1.0 Pt Pt31 1 0.25000000 0.92132025 0.91553162 1.0 Pt Pt32 1 0.75000000 0.83659878 0.57230192 1.0 Pt Pt33 1 0.25000000 0.33659878 0.92769808 1.0 Pt Pt34 1 0.75000000 0.66340122 0.07230192 1.0 Pt Pt35 1 0.25000000 0.57867975 0.41553162 1.0