# generated using pymatgen data_PaAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28246663 _cell_length_b 6.28248343 _cell_length_c 4.53416718 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00008136 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaAl3 _chemical_formula_sum 'Pa2 Al6' _cell_volume 154.98488546 _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 0.33333300 0.66666600 0.74999800 1.0 Pa Pa1 1 0.66666600 0.33333200 0.24999800 1.0 Al Al2 1 0.14664847 0.29329895 0.24999800 1.0 Al Al3 1 0.70670105 0.85335253 0.24999800 1.0 Al Al4 1 0.14665047 0.85335253 0.24999800 1.0 Al Al5 1 0.85335253 0.70670105 0.74999800 1.0 Al Al6 1 0.29329695 0.14664747 0.74999800 1.0 Al Al7 1 0.85335153 0.14664747 0.74999800 1.0