# generated using pymatgen data_Tb2Nd2P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94401117 _cell_length_b 12.71223114 _cell_length_c 13.12272619 _cell_angle_alpha 80.96209588 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Nd2P7Ir8 _chemical_formula_sum 'Tb4 Nd4 P14 Ir16' _cell_volume 649.76798501 _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 Tb Tb0 1 0.75000000 0.79036585 0.56087290 1.0 Tb Tb1 1 0.25000000 0.20963415 0.43912710 1.0 Tb Tb2 1 0.75000000 0.48072434 0.70626095 1.0 Tb Tb3 1 0.25000000 0.51927566 0.29373905 1.0 Nd Nd4 1 0.75000000 0.71963888 0.89899701 1.0 Nd Nd5 1 0.25000000 0.10625762 0.78869943 1.0 Nd Nd6 1 0.75000000 0.89374238 0.21130057 1.0 Nd Nd7 1 0.25000000 0.28036112 0.10100299 1.0 P P8 1 0.25000000 0.90858536 0.41059548 1.0 P P9 1 0.75000000 0.47059291 0.12930127 1.0 P P10 1 0.25000000 0.52940709 0.87069873 1.0 P P11 1 0.75000000 0.09141464 0.58940452 1.0 P P12 1 0.25000000 0.74248656 0.08332488 1.0 P P13 1 0.75000000 0.25751344 0.91667512 1.0 P P14 1 0.75000000 0.15736771 0.28322552 1.0 P P15 1 0.25000000 0.84263229 0.71677448 1.0 P P16 1 0.25000000 0.05247376 0.09994826 1.0 P P17 1 0.75000000 0.94752624 0.90005174 1.0 P P18 1 0.25000000 0.31642834 0.68750507 1.0 P P19 1 0.75000000 0.68357166 0.31249493 1.0 P P20 1 0.25000000 0.60902893 0.56390057 1.0 P P21 1 0.75000000 0.39097107 0.43609943 1.0 Ir Ir22 1 0.25000000 0.98988460 0.57594136 1.0 Ir Ir23 1 0.75000000 0.01011540 0.42405864 1.0 Ir Ir24 1 0.25000000 0.66144686 0.72651726 1.0 Ir Ir25 1 0.75000000 0.33855314 0.27348274 1.0 Ir Ir26 1 0.25000000 0.54787238 0.05158324 1.0 Ir Ir27 1 0.75000000 0.45212762 0.94841676 1.0 Ir Ir28 1 0.25000000 0.06344405 0.27341860 1.0 Ir Ir29 1 0.75000000 0.93655595 0.72658140 1.0 Ir Ir30 1 0.25000000 0.42279594 0.52420729 1.0 Ir Ir31 1 0.75000000 0.57720406 0.47579271 1.0 Ir Ir32 1 0.25000000 0.91540746 0.99840040 1.0 Ir Ir33 1 0.75000000 0.08459254 0.00159960 1.0 Ir Ir34 1 0.25000000 0.72946578 0.39628698 1.0 Ir Ir35 1 0.75000000 0.27053422 0.60371302 1.0 Ir Ir36 1 0.25000000 0.34324283 0.85748830 1.0 Ir Ir37 1 0.75000000 0.65675717 0.14251170 1.0