# generated using pymatgen data_Pa2AlReB8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65012573 _cell_length_b 5.94535042 _cell_length_c 5.94535042 _cell_angle_alpha 104.14682647 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2AlReB8 _chemical_formula_sum 'Pa2 Al1 Re1 B8' _cell_volume 125.10879990 _cell_formula_units_Z 1 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 0.00000000 0.30251184 0.69979289 1.0 Pa Pa1 1 0.00000000 0.69979289 0.30251184 1.0 Al Al2 1 0.00000000 0.81822935 0.81822935 1.0 Re Re3 1 0.00000000 0.16956478 0.16956478 1.0 B B4 1 0.50000000 0.93904398 0.61893262 1.0 B B5 1 0.50000000 0.06672896 0.38176295 1.0 B B6 1 0.50000000 0.61893262 0.93904398 1.0 B B7 1 0.50000000 0.38176295 0.06672896 1.0 B B8 1 0.50000000 0.61987934 0.61987934 1.0 B B9 1 0.50000000 0.37599616 0.37599616 1.0 B B10 1 0.50000000 0.09622561 0.91133053 1.0 B B11 1 0.50000000 0.91133053 0.09622561 1.0