# generated using pymatgen data_Pa2Nb8Al2Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.03617347 _cell_length_b 10.03617347 _cell_length_c 5.37606973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Nb8Al2Pt3 _chemical_formula_sum 'Pa4 Nb16 Al4 Pt6' _cell_volume 541.50342973 _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 Pa Pa0 1 0.39733269 0.39171614 0.00000000 1.0 Pa Pa1 1 0.89171614 0.10266731 0.50000000 1.0 Pa Pa2 1 0.10828386 0.89733269 0.50000000 1.0 Pa Pa3 1 0.60266731 0.60828386 0.00000000 1.0 Nb Nb4 1 0.13525397 0.46125499 0.00000000 1.0 Nb Nb5 1 0.96125499 0.36474603 0.50000000 1.0 Nb Nb6 1 0.03874501 0.63525397 0.50000000 1.0 Nb Nb7 1 0.86474603 0.53874501 0.00000000 1.0 Nb Nb8 1 0.37615554 0.96259120 0.50000000 1.0 Nb Nb9 1 0.62384446 0.03740880 0.50000000 1.0 Nb Nb10 1 0.46259120 0.12384446 0.00000000 1.0 Nb Nb11 1 0.53740880 0.87615554 0.00000000 1.0 Nb Nb12 1 0.18077518 0.18627764 0.24908155 1.0 Nb Nb13 1 0.68627764 0.31922482 0.74908155 1.0 Nb Nb14 1 0.31372236 0.68077518 0.74908155 1.0 Nb Nb15 1 0.81922482 0.81372236 0.24908155 1.0 Nb Nb16 1 0.31372236 0.68077518 0.25091845 1.0 Nb Nb17 1 0.68627764 0.31922482 0.25091845 1.0 Nb Nb18 1 0.18077518 0.18627764 0.75091845 1.0 Nb Nb19 1 0.81922482 0.81372236 0.75091845 1.0 Al Al20 1 0.23985622 0.43448883 0.50000000 1.0 Al Al21 1 0.76014378 0.56551117 0.50000000 1.0 Al Al22 1 0.93448883 0.26014378 0.00000000 1.0 Al Al23 1 0.06551117 0.73985622 0.00000000 1.0 Pt Pt24 1 0.00000000 0.00000000 0.00000000 1.0 Pt Pt25 1 0.50000000 0.50000000 0.50000000 1.0 Pt Pt26 1 0.26593203 0.93180823 0.00000000 1.0 Pt Pt27 1 0.43180823 0.23406797 0.50000000 1.0 Pt Pt28 1 0.56819177 0.76593203 0.50000000 1.0 Pt Pt29 1 0.73406797 0.06819177 0.00000000 1.0