# generated using pymatgen data_Ca10Al2Cu19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.76084410 _cell_length_b 14.76084410 _cell_length_c 9.05952400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000045 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca10Al2Cu19 _chemical_formula_sum 'Ca30 Al6 Cu57' _cell_volume 1709.45784755 _cell_formula_units_Z 3 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 0.00000000 0.00000000 0.21833500 1.0 Ca Ca1 1 0.00000000 0.00000000 0.78166500 1.0 Ca Ca2 1 0.37925900 0.00000000 0.00000000 1.0 Ca Ca3 1 0.62074100 0.00000000 0.00000000 1.0 Ca Ca4 1 0.00000000 0.37925900 0.00000000 1.0 Ca Ca5 1 0.00000000 0.62074100 0.00000000 1.0 Ca Ca6 1 0.62074100 0.62074100 0.00000000 1.0 Ca Ca7 1 0.37925900 0.37925900 0.00000000 1.0 Ca Ca8 1 0.20788500 0.41577000 0.20820200 1.0 Ca Ca9 1 0.79211500 0.58423000 0.79179800 1.0 Ca Ca10 1 0.58423000 0.79211500 0.20820200 1.0 Ca Ca11 1 0.79211500 0.58423000 0.20820200 1.0 Ca Ca12 1 0.41577000 0.20788500 0.79179800 1.0 Ca Ca13 1 0.20788500 0.41577000 0.79179800 1.0 Ca Ca14 1 0.20788500 0.79211500 0.20820200 1.0 Ca Ca15 1 0.41577000 0.20788500 0.20820200 1.0 Ca Ca16 1 0.79211500 0.20788500 0.79179800 1.0 Ca Ca17 1 0.58423000 0.79211500 0.79179800 1.0 Ca Ca18 1 0.79211500 0.20788500 0.20820200 1.0 Ca Ca19 1 0.20788500 0.79211500 0.79179800 1.0 Ca Ca20 1 0.33333300 0.66666700 0.31489700 1.0 Ca Ca21 1 0.66666700 0.33333300 0.68510300 1.0 Ca Ca22 1 0.66666700 0.33333300 0.31489700 1.0 Ca Ca23 1 0.33333300 0.66666700 0.68510300 1.0 Ca Ca24 1 0.13242200 0.26484300 0.50000000 1.0 Ca Ca25 1 0.86757800 0.73515700 0.50000000 1.0 Ca Ca26 1 0.73515700 0.86757800 0.50000000 1.0 Ca Ca27 1 0.26484300 0.13242200 0.50000000 1.0 Ca Ca28 1 0.13242200 0.86757800 0.50000000 1.0 Ca Ca29 1 0.86757800 0.13242200 0.50000000 1.0 Al Al30 1 0.60363500 0.20727100 0.00000000 1.0 Al Al31 1 0.39636500 0.79272900 0.00000000 1.0 Al Al32 1 0.79272900 0.39636500 0.00000000 1.0 Al Al33 1 0.20727100 0.60363500 0.00000000 1.0 Al Al34 1 0.60363500 0.39636500 0.00000000 1.0 Al Al35 1 0.39636500 0.60363500 0.00000000 1.0 Cu Cu36 1 0.16214600 0.49073300 0.50000000 1.0 Cu Cu37 1 0.83785400 0.50926700 0.50000000 1.0 Cu Cu38 1 0.50926700 0.67141200 0.50000000 1.0 Cu Cu39 1 0.49073300 0.16214600 0.50000000 1.0 Cu Cu40 1 0.49073300 0.32858800 0.50000000 1.0 Cu Cu41 1 0.50926700 0.83785400 0.50000000 1.0 Cu Cu42 1 0.32858800 0.83785400 0.50000000 1.0 Cu Cu43 1 0.67141200 0.50926700 0.50000000 1.0 Cu Cu44 1 0.67141200 0.16214600 0.50000000 1.0 Cu Cu45 1 0.32858800 0.49073300 0.50000000 1.0 Cu Cu46 1 0.83785400 0.32858800 0.50000000 1.0 Cu Cu47 1 0.16214600 0.67141200 0.50000000 1.0 Cu Cu48 1 0.10646300 0.21292600 0.00000000 1.0 Cu Cu49 1 0.89353700 0.78707400 0.00000000 1.0 Cu Cu50 1 0.78707400 0.89353700 0.00000000 1.0 Cu Cu51 1 0.21292600 0.10646300 0.00000000 1.0 Cu Cu52 1 0.10646300 0.89353700 0.00000000 1.0 Cu Cu53 1 0.89353700 0.10646300 0.00000000 1.0 Cu Cu54 1 0.55077000 0.10153900 0.25174300 1.0 Cu Cu55 1 0.44923000 0.89846100 0.74825700 1.0 Cu Cu56 1 0.89846100 0.44923000 0.25174300 1.0 Cu Cu57 1 0.44923000 0.89846100 0.25174300 1.0 Cu Cu58 1 0.10153900 0.55077000 0.74825700 1.0 Cu Cu59 1 0.55077000 0.10153900 0.74825700 1.0 Cu Cu60 1 0.55077000 0.44923000 0.25174300 1.0 Cu Cu61 1 0.10153900 0.55077000 0.25174300 1.0 Cu Cu62 1 0.44923000 0.55077000 0.74825700 1.0 Cu Cu63 1 0.89846100 0.44923000 0.74825700 1.0 Cu Cu64 1 0.44923000 0.55077000 0.25174300 1.0 Cu Cu65 1 0.55077000 0.44923000 0.74825700 1.0 Cu Cu66 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu67 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu68 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu69 1 0.20947600 0.00000000 0.21605900 1.0 Cu Cu70 1 0.79052400 0.00000000 0.78394100 1.0 Cu Cu71 1 0.00000000 0.20947600 0.21605900 1.0 Cu Cu72 1 0.79052400 0.00000000 0.21605900 1.0 Cu Cu73 1 0.00000000 0.20947600 0.78394100 1.0 Cu Cu74 1 0.00000000 0.79052400 0.78394100 1.0 Cu Cu75 1 0.20947600 0.00000000 0.78394100 1.0 Cu Cu76 1 0.00000000 0.79052400 0.21605900 1.0 Cu Cu77 1 0.79052400 0.79052400 0.21605900 1.0 Cu Cu78 1 0.20947600 0.20947600 0.78394100 1.0 Cu Cu79 1 0.20947600 0.20947600 0.21605900 1.0 Cu Cu80 1 0.79052400 0.79052400 0.78394100 1.0 Cu Cu81 1 0.35565900 0.00000000 0.35206500 1.0 Cu Cu82 1 0.64434100 0.00000000 0.64793500 1.0 Cu Cu83 1 0.00000000 0.35565900 0.35206500 1.0 Cu Cu84 1 0.64434100 0.00000000 0.35206500 1.0 Cu Cu85 1 0.00000000 0.35565900 0.64793500 1.0 Cu Cu86 1 0.00000000 0.64434100 0.64793500 1.0 Cu Cu87 1 0.35565900 0.00000000 0.64793500 1.0 Cu Cu88 1 0.00000000 0.64434100 0.35206500 1.0 Cu Cu89 1 0.64434100 0.64434100 0.35206500 1.0 Cu Cu90 1 0.35565900 0.35565900 0.64793500 1.0 Cu Cu91 1 0.35565900 0.35565900 0.35206500 1.0 Cu Cu92 1 0.64434100 0.64434100 0.64793500 1.0