# generated using pymatgen data_Pa2AlRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40990784 _cell_length_b 5.40862991 _cell_length_c 8.74540692 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.95608594 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2AlRe3 _chemical_formula_sum 'Pa4 Al2 Re6' _cell_volume 221.70719845 _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 0.33338420 0.66664667 0.42685782 1.0 Pa Pa1 1 0.66661580 0.33335333 0.57314218 1.0 Pa Pa2 1 0.66661580 0.33335333 0.92685782 1.0 Pa Pa3 1 0.33338420 0.66664667 0.07314218 1.0 Al Al4 1 0.00000000 0.00000000 0.50000000 1.0 Al Al5 1 0.00000000 0.00000000 0.00000000 1.0 Re Re6 1 0.82959247 0.17042107 0.25000000 1.0 Re Re7 1 0.82965513 0.65922882 0.25000000 1.0 Re Re8 1 0.34074612 0.17033501 0.25000000 1.0 Re Re9 1 0.17040753 0.82957893 0.75000000 1.0 Re Re10 1 0.17034487 0.34077118 0.75000000 1.0 Re Re11 1 0.65925388 0.82966499 0.75000000 1.0