# generated using pymatgen data_Nd4P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97380600 _cell_length_b 12.77864602 _cell_length_c 13.19516726 _cell_angle_alpha 80.85435006 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4P7Ir8 _chemical_formula_sum 'Nd8 P14 Ir16' _cell_volume 661.53074187 _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 0.75000000 0.78974041 0.56175194 1.0 Nd Nd1 1 0.25000000 0.21025959 0.43824806 1.0 Nd Nd2 1 0.75000000 0.48164822 0.70709245 1.0 Nd Nd3 1 0.25000000 0.51835178 0.29290755 1.0 Nd Nd4 1 0.75000000 0.71985240 0.89839198 1.0 Nd Nd5 1 0.25000000 0.10489644 0.79087718 1.0 Nd Nd6 1 0.75000000 0.89510356 0.20912282 1.0 Nd Nd7 1 0.25000000 0.28014760 0.10160802 1.0 P P8 1 0.25000000 0.91010171 0.40827858 1.0 P P9 1 0.75000000 0.47137543 0.12743085 1.0 P P10 1 0.25000000 0.52862457 0.87256915 1.0 P P11 1 0.75000000 0.08989829 0.59172142 1.0 P P12 1 0.25000000 0.74235040 0.08257070 1.0 P P13 1 0.75000000 0.25764960 0.91742930 1.0 P P14 1 0.75000000 0.15557203 0.28084407 1.0 P P15 1 0.25000000 0.84442797 0.71915593 1.0 P P16 1 0.25000000 0.05289396 0.09843067 1.0 P P17 1 0.75000000 0.94710604 0.90156933 1.0 P P18 1 0.25000000 0.31371741 0.68864400 1.0 P P19 1 0.75000000 0.68628259 0.31135600 1.0 P P20 1 0.25000000 0.60818083 0.56179297 1.0 P P21 1 0.75000000 0.39181917 0.43820703 1.0 Ir Ir22 1 0.25000000 0.98972070 0.57688254 1.0 Ir Ir23 1 0.75000000 0.01027930 0.42311746 1.0 Ir Ir24 1 0.25000000 0.66324136 0.72906123 1.0 Ir Ir25 1 0.75000000 0.33675864 0.27093877 1.0 Ir Ir26 1 0.25000000 0.54938028 0.04960092 1.0 Ir Ir27 1 0.75000000 0.45061972 0.95039908 1.0 Ir Ir28 1 0.25000000 0.06202974 0.27190807 1.0 Ir Ir29 1 0.75000000 0.93797026 0.72809193 1.0 Ir Ir30 1 0.25000000 0.42322115 0.52734812 1.0 Ir Ir31 1 0.75000000 0.57677885 0.47265188 1.0 Ir Ir32 1 0.25000000 0.91563744 0.99875530 1.0 Ir Ir33 1 0.75000000 0.08436256 0.00124470 1.0 Ir Ir34 1 0.25000000 0.73029374 0.39397781 1.0 Ir Ir35 1 0.75000000 0.26970626 0.60602219 1.0 Ir Ir36 1 0.25000000 0.34172246 0.85962501 1.0 Ir Ir37 1 0.75000000 0.65827754 0.14037499 1.0