# generated using pymatgen data_Ba3Al3Ga2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95590472 _cell_length_b 5.95590724 _cell_length_c 14.80706267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00002306 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Al3Ga2 _chemical_formula_sum 'Ba6 Al6 Ga4' _cell_volume 454.87818731 _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 Ba Ba0 1 0.33333300 0.66666700 0.87699543 1.0 Ba Ba1 1 0.66666700 0.33333300 0.37699543 1.0 Ba Ba2 1 0.66666700 0.33333300 0.12300457 1.0 Ba Ba3 1 0.00000000 0.00000000 -0.00000000 1.0 Ba Ba4 1 0.33333300 0.66666700 0.62300457 1.0 Ba Ba5 1 0.00000000 0.00000000 0.50000000 1.0 Al Al6 1 0.84052741 0.68105682 0.75000000 1.0 Al Al7 1 0.68105682 0.84052741 0.25000000 1.0 Al Al8 1 0.84052741 0.15947259 0.75000000 1.0 Al Al9 1 0.15947259 0.84052741 0.25000000 1.0 Al Al10 1 0.31894318 0.15947259 0.75000000 1.0 Al Al11 1 0.15947259 0.31894318 0.25000000 1.0 Ga Ga12 1 0.66666600 0.33333300 0.88514596 1.0 Ga Ga13 1 0.33333400 0.66666700 0.11485404 1.0 Ga Ga14 1 0.33333400 0.66666700 0.38514596 1.0 Ga Ga15 1 0.66666600 0.33333300 0.61485404 1.0