# generated using pymatgen data_Ni2As3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72149400 _cell_length_b 6.33057748 _cell_length_c 6.66316009 _cell_angle_alpha 121.75911825 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2As3Pd4 _chemical_formula_sum 'Ni2 As3 Pd4' _cell_volume 133.47409181 _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 Ni Ni0 1 0.00000000 0.25471600 0.99512000 1.0 Ni Ni1 1 0.00000000 0.74542700 0.74025300 1.0 As As2 1 0.50000000 0.99998000 0.98159300 1.0 As As3 1 0.00000000 0.34275700 0.68442900 1.0 As As4 1 0.00000000 0.65718600 0.34163700 1.0 Pd Pd5 1 0.00000000 0.99996300 0.25596600 1.0 Pd Pd6 1 0.50000000 0.59303900 0.99544500 1.0 Pd Pd7 1 0.50000000 0.40691500 0.40246000 1.0 Pd Pd8 1 0.50000000 0.99991800 0.60309600 1.0