# generated using pymatgen data_Nb18Al5Ga2Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08237969 _cell_length_b 9.86418318 _cell_length_c 9.86344656 _cell_angle_alpha 86.26810364 _cell_angle_beta 75.30451503 _cell_angle_gamma 75.11703968 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb18Al5Ga2Ni3 _chemical_formula_sum 'Nb18 Al5 Ga2 Ni3' _cell_volume 462.26725755 _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 Nb Nb0 1 0.74470143 0.50128827 0.50411721 1.0 Nb Nb1 1 0.25529857 0.49871173 0.49588279 1.0 Nb Nb2 1 0.79212808 0.77752478 0.64174779 1.0 Nb Nb3 1 0.20787192 0.22247522 0.35825221 1.0 Nb Nb4 1 0.70476836 0.35571832 0.22663192 1.0 Nb Nb5 1 0.29523164 0.64428168 0.77336808 1.0 Nb Nb6 1 0.56049032 0.64420554 0.22642643 1.0 Nb Nb7 1 0.43950968 0.35579446 0.77357357 1.0 Nb Nb8 1 0.07066956 0.22249496 0.64181167 1.0 Nb Nb9 1 0.92933044 0.77750504 0.35818833 1.0 Nb Nb10 1 0.58619093 0.07398408 0.75237520 1.0 Nb Nb11 1 0.41380907 0.92601592 0.24762480 1.0 Nb Nb12 1 0.91699839 0.24470701 0.92417729 1.0 Nb Nb13 1 0.08300161 0.75529299 0.07582271 1.0 Nb Nb14 1 0.66105066 0.75527194 0.92416171 1.0 Nb Nb15 1 0.33894934 0.24472806 0.07583829 1.0 Nb Nb16 1 0.16044699 0.92603247 0.75238385 1.0 Nb Nb17 1 0.83955301 0.07396753 0.24761615 1.0 Al Al18 1 0.50000000 0.50000000 0.00000000 1.0 Al Al19 1 0.11953883 0.50002486 0.23694573 1.0 Al Al20 1 0.88046117 0.49997514 0.76305427 1.0 Al Al21 1 0.36448727 0.77008388 0.49992042 1.0 Al Al22 1 0.63551273 0.22991612 0.50007958 1.0 Ga Ga23 1 0.25006556 0.99969907 0.00012376 1.0 Ga Ga24 1 0.74993444 0.00030093 0.99987624 1.0 Ni Ni25 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni26 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni27 1 0.00000000 0.50000000 0.00000000 1.0