# generated using pymatgen data_NdNi9P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44069435 _cell_length_b 6.44069473 _cell_length_c 10.57929533 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000822 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdNi9P5 _chemical_formula_sum 'Nd2 Ni18 P10' _cell_volume 380.06050574 _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 0.00000000 0.00000000 0.50000000 1.0 Nd Nd1 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.46412590 0.92825180 0.89309881 1.0 Ni Ni3 1 0.92825180 0.46412590 0.10690119 1.0 Ni Ni4 1 0.53587410 0.07174820 0.10690119 1.0 Ni Ni5 1 0.07174820 0.53587410 0.60690119 1.0 Ni Ni6 1 0.20234489 0.40468978 0.25000000 1.0 Ni Ni7 1 0.79765511 0.20234489 0.75000000 1.0 Ni Ni8 1 0.40468978 0.20234489 0.75000000 1.0 Ni Ni9 1 0.59531022 0.79765511 0.25000000 1.0 Ni Ni10 1 0.20234489 0.79765511 0.25000000 1.0 Ni Ni11 1 0.79765511 0.59531022 0.75000000 1.0 Ni Ni12 1 0.46412590 0.92825180 0.60690119 1.0 Ni Ni13 1 0.53587410 0.46412590 0.39309881 1.0 Ni Ni14 1 0.92825180 0.46412590 0.39309881 1.0 Ni Ni15 1 0.07174820 0.53587410 0.89309881 1.0 Ni Ni16 1 0.46412590 0.53587410 0.89309881 1.0 Ni Ni17 1 0.53587410 0.07174820 0.39309881 1.0 Ni Ni18 1 0.53587410 0.46412590 0.10690119 1.0 Ni Ni19 1 0.46412590 0.53587410 0.60690119 1.0 P P20 1 0.17282657 0.34565413 0.75000000 1.0 P P21 1 0.82717343 0.17282657 0.25000000 1.0 P P22 1 0.17282657 0.82717343 0.75000000 1.0 P P23 1 0.82717343 0.65434587 0.25000000 1.0 P P24 1 0.33333300 0.66666700 0.43851186 1.0 P P25 1 0.66666700 0.33333300 0.93851186 1.0 P P26 1 0.66666700 0.33333300 0.56148814 1.0 P P27 1 0.33333300 0.66666700 0.06148814 1.0 P P28 1 0.34565413 0.17282657 0.25000000 1.0 P P29 1 0.65434587 0.82717343 0.75000000 1.0