# generated using pymatgen data_Ca6Ge7Au15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55473200 _cell_length_b 9.58467700 _cell_length_c 13.43029443 _cell_angle_alpha 89.36900944 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Ge7Au15 _chemical_formula_sum 'Ca6 Ge7 Au15' _cell_volume 586.27247768 _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 Ca Ca0 1 0.50000000 0.99933200 0.18873700 1.0 Ca Ca1 1 0.50000000 0.00018400 0.81118300 1.0 Ca Ca2 1 0.00000000 0.49471900 0.31187600 1.0 Ca Ca3 1 0.00000000 0.50092200 0.69038200 1.0 Ca Ca4 1 0.00000000 0.49833900 0.99872300 1.0 Ca Ca5 1 0.50000000 0.00641800 0.49943500 1.0 Ge Ge6 1 0.50000000 0.35017500 0.17967100 1.0 Ge Ge7 1 0.50000000 0.64910700 0.81784500 1.0 Ge Ge8 1 0.00000000 0.84931100 0.31774900 1.0 Ge Ge9 1 0.00000000 0.14547700 0.68599900 1.0 Ge Ge10 1 0.50000000 0.72872100 0.62648900 1.0 Ge Ge11 1 0.00000000 0.77708600 0.12406800 1.0 Ge Ge12 1 0.00000000 0.21985000 0.87537100 1.0 Au Au13 1 0.50000000 0.73740700 0.35917600 1.0 Au Au14 1 0.50000000 0.25970600 0.63941400 1.0 Au Au15 1 0.00000000 0.23876000 0.13766500 1.0 Au Au16 1 0.00000000 0.75785300 0.85855200 1.0 Au Au17 1 0.50000000 0.38364000 0.83991300 1.0 Au Au18 1 0.50000000 0.61414800 0.15944000 1.0 Au Au19 1 0.00000000 0.88374100 0.65791900 1.0 Au Au20 1 0.00000000 0.11061600 0.34113300 1.0 Au Au21 1 0.50000000 0.50464400 0.50895000 1.0 Au Au22 1 0.00000000 0.99892100 0.99982800 1.0 Au Au23 1 0.50000000 0.20545200 0.00457400 1.0 Au Au24 1 0.50000000 0.79935400 0.99614000 1.0 Au Au25 1 0.00000000 0.70142100 0.49509900 1.0 Au Au26 1 0.00000000 0.29779100 0.50562200 1.0 Au Au27 1 0.50000000 0.28690400 0.36904800 1.0