# generated using pymatgen data_Nd8Cu7P12Pd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99365593 _cell_length_b 10.91082564 _cell_length_c 13.28531409 _cell_angle_alpha 89.97836821 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd8Cu7P12Pd5 _chemical_formula_sum 'Nd8 Cu7 P12 Pd5' _cell_volume 578.89534379 _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 0.25000000 0.93461657 0.79183173 1.0 Nd Nd1 1 0.75000000 0.43442704 0.70917010 1.0 Nd Nd2 1 0.25000000 0.56583531 0.29207810 1.0 Nd Nd3 1 0.75000000 0.06610849 0.20919331 1.0 Nd Nd4 1 0.25000000 0.84033373 0.49966433 1.0 Nd Nd5 1 0.75000000 0.33972692 0.99849255 1.0 Nd Nd6 1 0.25000000 0.65834212 0.99938372 1.0 Nd Nd7 1 0.75000000 0.15874098 0.50004542 1.0 Cu Cu8 1 0.75000000 0.76975223 0.17041507 1.0 Cu Cu9 1 0.25000000 0.22921922 0.82963428 1.0 Cu Cu10 1 0.75000000 0.73065898 0.67056122 1.0 Cu Cu11 1 0.25000000 0.86104480 0.27522703 1.0 Cu Cu12 1 0.75000000 0.36474061 0.21893300 1.0 Cu Cu13 1 0.25000000 0.64012763 0.77487719 1.0 Cu Cu14 1 0.75000000 0.14004997 0.72502708 1.0 P P15 1 0.25000000 0.23326512 0.65295034 1.0 P P16 1 0.75000000 0.73250506 0.84740006 1.0 P P17 1 0.25000000 0.26545154 0.14793976 1.0 P P18 1 0.75000000 0.76584534 0.34759943 1.0 P P19 1 0.25000000 0.60425617 0.60152045 1.0 P P20 1 0.75000000 0.10206278 0.89861093 1.0 P P21 1 0.25000000 0.89510486 0.10146643 1.0 P P22 1 0.75000000 0.39808437 0.39834701 1.0 P P23 1 0.25000000 0.05317598 0.36928606 1.0 P P24 1 0.75000000 0.55796482 0.13137509 1.0 P P25 1 0.25000000 0.44147025 0.86775048 1.0 P P26 1 0.75000000 0.94187311 0.63194728 1.0 Pd Pd27 1 0.25000000 0.40232486 0.51342319 1.0 Pd Pd28 1 0.75000000 0.89695831 0.99197312 1.0 Pd Pd29 1 0.25000000 0.10075699 0.00897134 1.0 Pd Pd30 1 0.75000000 0.60081484 0.49363018 1.0 Pd Pd31 1 0.25000000 0.27435798 0.33127571 1.0