# generated using pymatgen data_LiNd3(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00712148 _cell_length_b 11.31540677 _cell_length_c 12.78868968 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNd3(P3Ir4)2 _chemical_formula_sum 'Li2 Nd6 P12 Ir16' _cell_volume 579.86744716 _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 Li Li0 1 0.50000000 0.50000000 0.15176464 1.0 Li Li1 1 0.00000000 0.00000000 0.84823536 1.0 Nd Nd2 1 0.00000000 0.50000000 0.51613944 1.0 Nd Nd3 1 0.50000000 0.00000000 0.48386056 1.0 Nd Nd4 1 0.50000000 0.81935497 0.20482891 1.0 Nd Nd5 1 0.50000000 0.18064503 0.20482891 1.0 Nd Nd6 1 0.00000000 0.68064503 0.79517109 1.0 Nd Nd7 1 0.00000000 0.31935497 0.79517109 1.0 P P8 1 0.50000000 0.50000000 0.88404427 1.0 P P9 1 0.00000000 0.00000000 0.11595573 1.0 P P10 1 0.50000000 0.50000000 0.33809819 1.0 P P11 1 0.00000000 0.00000000 0.66190181 1.0 P P12 1 0.50000000 0.30968704 0.61681966 1.0 P P13 1 0.50000000 0.69031296 0.61681966 1.0 P P14 1 0.00000000 0.19031296 0.38318034 1.0 P P15 1 0.00000000 0.80968704 0.38318034 1.0 P P16 1 0.50000000 0.84455139 0.89255154 1.0 P P17 1 0.50000000 0.15544861 0.89255154 1.0 P P18 1 0.00000000 0.65544861 0.10744846 1.0 P P19 1 0.00000000 0.34455139 0.10744846 1.0 Ir Ir20 1 0.50000000 0.50000000 0.70114058 1.0 Ir Ir21 1 0.00000000 0.00000000 0.29885942 1.0 Ir Ir22 1 0.00000000 0.50000000 0.98669316 1.0 Ir Ir23 1 0.50000000 0.00000000 0.01330684 1.0 Ir Ir24 1 0.50000000 0.33226081 0.99220940 1.0 Ir Ir25 1 0.50000000 0.66773919 0.99220940 1.0 Ir Ir26 1 0.00000000 0.16773919 0.00779060 1.0 Ir Ir27 1 0.00000000 0.83226081 0.00779060 1.0 Ir Ir28 1 0.50000000 0.29145776 0.43006489 1.0 Ir Ir29 1 0.50000000 0.70854224 0.43006489 1.0 Ir Ir30 1 0.00000000 0.20854224 0.56993511 1.0 Ir Ir31 1 0.00000000 0.79145776 0.56993511 1.0 Ir Ir32 1 0.50000000 0.87427527 0.71132900 1.0 Ir Ir33 1 0.50000000 0.12572473 0.71132900 1.0 Ir Ir34 1 0.00000000 0.62572473 0.28867100 1.0 Ir Ir35 1 0.00000000 0.37427527 0.28867100 1.0