# generated using pymatgen data_Ba7Ga4As9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86544284 _cell_length_b 10.24540857 _cell_length_c 17.18932988 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba7Ga4As9 _chemical_formula_sum 'Ba14 Ga8 As18' _cell_volume 1209.08486243 _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 0.45114125 0.50000000 0.78376508 1.0 Ba Ba1 1 0.45114125 0.50000000 0.21623492 1.0 Ba Ba2 1 0.54885875 0.00000000 0.71623492 1.0 Ba Ba3 1 0.54885875 0.00000000 0.28376508 1.0 Ba Ba4 1 0.94560375 0.27731489 0.87525603 1.0 Ba Ba5 1 0.94560375 0.72268511 0.87525603 1.0 Ba Ba6 1 0.94560375 0.27731489 0.12474397 1.0 Ba Ba7 1 0.94560375 0.72268511 0.12474397 1.0 Ba Ba8 1 0.05439625 0.22268511 0.62474397 1.0 Ba Ba9 1 0.05439625 0.77731489 0.62474397 1.0 Ba Ba10 1 0.05439625 0.22268511 0.37525603 1.0 Ba Ba11 1 0.05439625 0.77731489 0.37525603 1.0 Ba Ba12 1 0.40535487 0.50000000 0.50000000 1.0 Ba Ba13 1 0.59464513 0.00000000 0.00000000 1.0 Ga Ga14 1 0.76557470 0.50000000 0.37645256 1.0 Ga Ga15 1 0.76557470 0.50000000 0.62354744 1.0 Ga Ga16 1 0.23442530 0.00000000 0.12354744 1.0 Ga Ga17 1 0.23442530 0.00000000 0.87645256 1.0 Ga Ga18 1 0.56973196 0.82348500 0.50000000 1.0 Ga Ga19 1 0.56973196 0.17651500 0.50000000 1.0 Ga Ga20 1 0.43026804 0.67651500 0.00000000 1.0 Ga Ga21 1 0.43026804 0.32348500 0.00000000 1.0 As As22 1 0.56035553 0.29125859 0.37206959 1.0 As As23 1 0.56035553 0.70874141 0.37206959 1.0 As As24 1 0.56035553 0.29125859 0.62793041 1.0 As As25 1 0.56035553 0.70874141 0.62793041 1.0 As As26 1 0.43964447 0.20874141 0.12793041 1.0 As As27 1 0.43964447 0.79125859 0.12793041 1.0 As As28 1 0.43964447 0.20874141 0.87206959 1.0 As As29 1 0.43964447 0.79125859 0.87206959 1.0 As As30 1 0.97765765 0.50000000 0.26292967 1.0 As As31 1 0.97765765 0.50000000 0.73707033 1.0 As As32 1 0.02234235 0.00000000 0.23707033 1.0 As As33 1 0.02234235 0.00000000 0.76292967 1.0 As As34 1 0.69263420 0.50000000 0.00000000 1.0 As As35 1 0.30736580 0.00000000 0.50000000 1.0 As As36 1 0.16754346 0.50000000 0.00000000 1.0 As As37 1 0.83245654 0.00000000 0.50000000 1.0 As As38 1 0.95226536 0.50000000 0.50000000 1.0 As As39 1 0.04773464 0.00000000 0.00000000 1.0