# generated using pymatgen data_Ba10Al3Ge7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.87842029 _cell_length_b 9.87842029 _cell_length_c 16.64067900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000192 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10Al3Ge7 _chemical_formula_sum 'Ba20 Al6 Ge14' _cell_volume 1406.29575480 _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 0.26020600 0.26020600 0.60322500 1.0 Ba Ba1 1 0.73979400 0.00000000 0.60322500 1.0 Ba Ba2 1 0.00000000 0.73979400 0.60322500 1.0 Ba Ba3 1 0.00000000 0.26020600 0.10322500 1.0 Ba Ba4 1 0.73979400 0.00000000 0.89677500 1.0 Ba Ba5 1 0.73979400 0.73979400 0.10322500 1.0 Ba Ba6 1 0.26020600 0.00000000 0.10322500 1.0 Ba Ba7 1 0.73979400 0.73979400 0.39677500 1.0 Ba Ba8 1 0.00000000 0.26020600 0.39677500 1.0 Ba Ba9 1 0.00000000 0.73979400 0.89677500 1.0 Ba Ba10 1 0.26020600 0.26020600 0.89677500 1.0 Ba Ba11 1 0.26020600 0.00000000 0.39677500 1.0 Ba Ba12 1 0.33333300 0.66666700 0.50000000 1.0 Ba Ba13 1 0.66666700 0.33333300 0.00000000 1.0 Ba Ba14 1 0.66666700 0.33333300 0.50000000 1.0 Ba Ba15 1 0.33333300 0.66666700 0.00000000 1.0 Ba Ba16 1 0.33333300 0.66666700 0.75000000 1.0 Ba Ba17 1 0.66666700 0.33333300 0.25000000 1.0 Ba Ba18 1 0.66666700 0.33333300 0.75000000 1.0 Ba Ba19 1 0.33333300 0.66666700 0.25000000 1.0 Al Al20 1 0.00000000 0.26958000 0.75000000 1.0 Al Al21 1 0.73042000 0.00000000 0.25000000 1.0 Al Al22 1 0.26958000 0.26958000 0.25000000 1.0 Al Al23 1 0.73042000 0.73042000 0.75000000 1.0 Al Al24 1 0.26958000 0.00000000 0.75000000 1.0 Al Al25 1 0.00000000 0.73042000 0.25000000 1.0 Ge Ge26 1 0.00000000 0.60605600 0.11737500 1.0 Ge Ge27 1 0.00000000 0.00000000 0.25000000 1.0 Ge Ge28 1 0.39394400 0.39394400 0.11737500 1.0 Ge Ge29 1 0.00000000 0.00000000 0.75000000 1.0 Ge Ge30 1 0.60605600 0.00000000 0.11737500 1.0 Ge Ge31 1 0.00000000 0.39394400 0.61737500 1.0 Ge Ge32 1 0.60605600 0.00000000 0.38262500 1.0 Ge Ge33 1 0.60605600 0.60605600 0.61737500 1.0 Ge Ge34 1 0.39394400 0.00000000 0.61737500 1.0 Ge Ge35 1 0.60605600 0.60605600 0.88262500 1.0 Ge Ge36 1 0.00000000 0.39394400 0.88262500 1.0 Ge Ge37 1 0.00000000 0.60605600 0.38262500 1.0 Ge Ge38 1 0.39394400 0.39394400 0.38262500 1.0 Ge Ge39 1 0.39394400 0.00000000 0.88262500 1.0