# generated using pymatgen data_Nd5Zr3(P3Pd4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.15465602 _cell_length_b 13.15465475 _cell_length_c 4.04933901 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000319 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Zr3(P3Pd4)4 _chemical_formula_sum 'Nd5 Zr3 P12 Pd16' _cell_volume 606.83931011 _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 0.19035471 0.19035471 0.50000000 1.0 Nd Nd1 1 0.80964529 0.00000000 0.50000000 1.0 Nd Nd2 1 0.00000000 0.80964529 0.50000000 1.0 Nd Nd3 1 0.33333300 0.66666700 0.00000000 1.0 Nd Nd4 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr5 1 0.55703937 0.55703937 0.00000000 1.0 Zr Zr6 1 0.44296063 0.00000000 0.00000000 1.0 Zr Zr7 1 0.00000000 0.44296063 0.00000000 1.0 P P8 1 0.82522362 0.82522362 0.00000000 1.0 P P9 1 0.17477638 0.00000000 0.00000000 1.0 P P10 1 1.00000000 0.17477638 0.00000000 1.0 P P11 1 0.16437730 0.47741395 0.50000000 1.0 P P12 1 0.52258605 0.68696335 0.50000000 1.0 P P13 1 0.31303665 0.83562270 0.50000000 1.0 P P14 1 0.68696335 0.52258605 0.50000000 1.0 P P15 1 0.83562270 0.31303665 0.50000000 1.0 P P16 1 0.47741395 0.16437730 0.50000000 1.0 P P17 1 0.36177089 0.36177089 0.00000000 1.0 P P18 1 0.63822911 0.00000000 0.00000000 1.0 P P19 1 0.00000000 0.63822911 0.00000000 1.0 Pd Pd20 1 0.72708366 0.72708366 0.50000000 1.0 Pd Pd21 1 0.27291634 0.00000000 0.50000000 1.0 Pd Pd22 1 1.00000000 0.27291634 0.50000000 1.0 Pd Pd23 1 0.18576324 0.37903562 0.00000000 1.0 Pd Pd24 1 0.62096438 0.80672761 0.00000000 1.0 Pd Pd25 1 0.19327239 0.81423676 0.00000000 1.0 Pd Pd26 1 0.80672761 0.62096438 0.00000000 1.0 Pd Pd27 1 0.81423676 0.19327239 0.00000000 1.0 Pd Pd28 1 0.37903562 0.18576324 0.00000000 1.0 Pd Pd29 1 0.36145491 0.49077238 0.50000000 1.0 Pd Pd30 1 0.50922762 0.87068253 0.50000000 1.0 Pd Pd31 1 0.12931747 0.63854509 0.50000000 1.0 Pd Pd32 1 0.87068253 0.50922762 0.50000000 1.0 Pd Pd33 1 0.63854509 0.12931747 0.50000000 1.0 Pd Pd34 1 0.49077238 0.36145491 0.50000000 1.0 Pd Pd35 1 0.00000000 0.00000000 0.00000000 1.0