# generated using pymatgen data_PaAl10FeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76330309 _cell_length_b 6.78803562 _cell_length_c 9.00354134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.75230520 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaAl10FeRe _chemical_formula_sum 'Pa2 Al20 Fe2 Re2' _cell_volume 409.57065152 _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 0.88195380 0.14034053 0.75000000 1.0 Pa Pa1 1 0.11804620 0.85965947 0.25000000 1.0 Al Al2 1 0.62078299 0.37273409 0.54800721 1.0 Al Al3 1 0.37921701 0.62726591 0.45199279 1.0 Al Al4 1 0.37921701 0.62726591 0.04800721 1.0 Al Al5 1 0.62078299 0.37273409 0.95199279 1.0 Al Al6 1 0.23053665 0.22046147 0.49960257 1.0 Al Al7 1 0.76946335 0.77953853 0.50039743 1.0 Al Al8 1 0.76946335 0.77953853 0.99960257 1.0 Al Al9 1 0.23053665 0.22046147 0.00039743 1.0 Al Al10 1 0.83662226 0.15155627 0.10040637 1.0 Al Al11 1 0.16337774 0.84844373 0.89959363 1.0 Al Al12 1 0.16337774 0.84844373 0.60040637 1.0 Al Al13 1 0.83662226 0.15155627 0.39959363 1.0 Al Al14 1 0.86262236 0.60130210 0.75000000 1.0 Al Al15 1 0.13737764 0.39869790 0.25000000 1.0 Al Al16 1 0.41458684 0.13895126 0.75000000 1.0 Al Al17 1 0.58541316 0.86104874 0.25000000 1.0 Al Al18 1 0.22731037 0.48531323 0.75000000 1.0 Al Al19 1 0.77268963 0.51468677 0.25000000 1.0 Al Al20 1 0.52297940 0.79000582 0.75000000 1.0 Al Al21 1 0.47702060 0.20999418 0.25000000 1.0 Fe Fe22 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe23 1 0.50000000 0.00000000 0.50000000 1.0 Re Re24 1 0.00000000 0.50000000 0.50000000 1.0 Re Re25 1 0.00000000 0.50000000 0.00000000 1.0