# generated using pymatgen data_Pa(MnAl5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76249511 _cell_length_b 6.76249559 _cell_length_c 8.96662308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.97895103 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa(MnAl5)2 _chemical_formula_sum 'Pa2 Mn4 Al20' _cell_volume 406.08602322 _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 0.87288935 0.12711065 0.75000000 1.0 Pa Pa1 1 0.12711065 0.87288935 0.25000000 1.0 Mn Mn2 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn3 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn4 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn5 1 0.50000000 0.00000000 0.50000000 1.0 Al Al6 1 0.62476148 0.37523852 0.54793446 1.0 Al Al7 1 0.37523852 0.62476148 0.45206554 1.0 Al Al8 1 0.37523852 0.62476148 0.04793446 1.0 Al Al9 1 0.62476148 0.37523852 0.95206554 1.0 Al Al10 1 0.22778076 0.22778076 0.50000000 1.0 Al Al11 1 0.77221924 0.77221924 0.50000000 1.0 Al Al12 1 0.77221924 0.77221924 0.00000000 1.0 Al Al13 1 0.22778076 0.22778076 0.00000000 1.0 Al Al14 1 0.84253049 0.15746951 0.09869451 1.0 Al Al15 1 0.15746951 0.84253049 0.90130549 1.0 Al Al16 1 0.15746951 0.84253049 0.59869451 1.0 Al Al17 1 0.84253049 0.15746951 0.40130549 1.0 Al Al18 1 0.86708463 0.59355608 0.75000000 1.0 Al Al19 1 0.13291537 0.40644392 0.25000000 1.0 Al Al20 1 0.40644392 0.13291537 0.75000000 1.0 Al Al21 1 0.59355608 0.86708463 0.25000000 1.0 Al Al22 1 0.21946769 0.47810085 0.75000000 1.0 Al Al23 1 0.78053231 0.52189915 0.25000000 1.0 Al Al24 1 0.52189915 0.78053231 0.75000000 1.0 Al Al25 1 0.47810085 0.21946769 0.25000000 1.0