# generated using pymatgen data_Pa(Al5Re)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85543826 _cell_length_b 6.85544294 _cell_length_c 9.11524209 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.54539971 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa(Al5Re)2 _chemical_formula_sum 'Pa2 Al20 Re4' _cell_volume 424.68026032 _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 0.86706850 0.13293050 0.75000000 1.0 Pa Pa1 1 0.13293150 0.86706950 0.25000000 1.0 Al Al2 1 0.52049712 0.78488267 0.75000000 1.0 Al Al3 1 0.78488367 0.52049712 0.25000000 1.0 Al Al4 1 0.47950288 0.21511733 0.25000000 1.0 Al Al5 1 0.21511633 0.47950288 0.75000000 1.0 Al Al6 1 0.62276903 0.37723097 0.95463574 1.0 Al Al7 1 0.37723097 0.62276903 0.04536426 1.0 Al Al8 1 0.62276903 0.37723097 0.54536426 1.0 Al Al9 1 0.37723097 0.62276903 0.45463574 1.0 Al Al10 1 0.40526584 0.14104444 0.75000000 1.0 Al Al11 1 0.14104444 0.40526584 0.25000000 1.0 Al Al12 1 0.59473416 0.85895556 0.25000000 1.0 Al Al13 1 0.85895556 0.59473416 0.75000000 1.0 Al Al14 1 0.84477076 0.15522924 0.39930937 1.0 Al Al15 1 0.15522924 0.84477076 0.60069063 1.0 Al Al16 1 0.84477076 0.15522924 0.10069063 1.0 Al Al17 1 0.15522924 0.84477076 0.89930937 1.0 Al Al18 1 0.77446641 0.77446641 0.00000000 1.0 Al Al19 1 0.77446641 0.77446641 0.50000000 1.0 Al Al20 1 0.22553359 0.22553359 0.00000000 1.0 Al Al21 1 0.22553359 0.22553359 0.50000000 1.0 Re Re22 1 0.50000000 0.00000000 0.00000000 1.0 Re Re23 1 0.00000000 0.50000000 0.00000000 1.0 Re Re24 1 0.50000000 0.00000000 0.50000000 1.0 Re Re25 1 0.00000000 0.50000000 0.50000000 1.0