# generated using pymatgen data_Ca2Ga4Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.06101680 _cell_length_b 14.06101646 _cell_length_c 4.24369690 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000080 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Ga4Au3 _chemical_formula_sum 'Ca8 Ga16 Au12' _cell_volume 726.62181051 _cell_formula_units_Z 4 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 0.44738861 0.00000000 0.00000000 1.0 Ca Ca1 1 0.00000000 0.44738861 0.00000000 1.0 Ca Ca2 1 0.55261139 0.55261139 0.00000000 1.0 Ca Ca3 1 0.33333300 0.66666700 0.00000000 1.0 Ca Ca4 1 0.66666700 0.33333300 0.00000000 1.0 Ca Ca5 1 0.82086401 0.00000000 0.50000000 1.0 Ca Ca6 1 0.00000000 0.82086401 0.50000000 1.0 Ca Ca7 1 0.17913599 0.17913599 0.50000000 1.0 Ga Ga8 1 0.18665155 0.38359497 0.00000000 1.0 Ga Ga9 1 0.61640503 0.80305657 0.00000000 1.0 Ga Ga10 1 0.38359497 0.18665155 0.00000000 1.0 Ga Ga11 1 0.19694343 0.81334845 0.00000000 1.0 Ga Ga12 1 0.80305657 0.61640503 0.00000000 1.0 Ga Ga13 1 0.81334845 0.19694343 0.00000000 1.0 Ga Ga14 1 0.28213625 0.00000000 0.50000000 1.0 Ga Ga15 1 1.00000000 0.28213625 0.50000000 1.0 Ga Ga16 1 0.71786375 0.71786375 0.50000000 1.0 Ga Ga17 1 0.35111915 0.47290459 0.50000000 1.0 Ga Ga18 1 0.52709541 0.87821456 0.50000000 1.0 Ga Ga19 1 0.47290459 0.35111915 0.50000000 1.0 Ga Ga20 1 0.12178544 0.64888085 0.50000000 1.0 Ga Ga21 1 0.87821456 0.52709541 0.50000000 1.0 Ga Ga22 1 0.64888085 0.12178544 0.50000000 1.0 Ga Ga23 1 0.00000000 0.00000000 0.00000000 1.0 Au Au24 1 0.17399124 0.49285872 0.50000000 1.0 Au Au25 1 0.50714128 0.68113252 0.50000000 1.0 Au Au26 1 0.49285872 0.17399124 0.50000000 1.0 Au Au27 1 0.31886748 0.82600876 0.50000000 1.0 Au Au28 1 0.68113252 0.50714128 0.50000000 1.0 Au Au29 1 0.82600876 0.31886748 0.50000000 1.0 Au Au30 1 0.18024839 0.00000000 0.00000000 1.0 Au Au31 1 1.00000000 0.18024839 0.00000000 1.0 Au Au32 1 0.81975161 0.81975161 0.00000000 1.0 Au Au33 1 0.65398354 0.00000000 0.00000000 1.0 Au Au34 1 0.00000000 0.65398354 0.00000000 1.0 Au Au35 1 0.34601646 0.34601646 0.00000000 1.0