# generated using pymatgen data_Ce2(Al5Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.12141995 _cell_length_b 13.12141995 _cell_length_c 9.05855800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999977 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2(Al5Ru)3 _chemical_formula_sum 'Ce8 Al60 Ru12' _cell_volume 1350.67659048 _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 Ce Ce0 1 0.60519800 0.00000000 0.25000000 1.0 Ce Ce1 1 0.39480200 0.39480200 0.25000000 1.0 Ce Ce2 1 0.39480200 0.00000000 0.75000000 1.0 Ce Ce3 1 0.00000000 0.00000000 0.25000000 1.0 Ce Ce4 1 0.00000000 0.39480200 0.75000000 1.0 Ce Ce5 1 0.60519800 0.60519800 0.75000000 1.0 Ce Ce6 1 0.00000000 0.60519800 0.25000000 1.0 Ce Ce7 1 0.00000000 0.00000000 0.75000000 1.0 Al Al8 1 0.72354800 0.24801500 0.75000000 1.0 Al Al9 1 0.61647100 0.61647100 0.39695200 1.0 Al Al10 1 0.79823000 0.00000000 0.47274200 1.0 Al Al11 1 0.75198500 0.47553400 0.75000000 1.0 Al Al12 1 0.79823000 0.00000000 0.02725800 1.0 Al Al13 1 0.75198500 0.27645200 0.25000000 1.0 Al Al14 1 0.00000000 0.79823000 0.47274200 1.0 Al Al15 1 0.79823000 0.79823000 0.52725800 1.0 Al Al16 1 0.81755300 0.40877700 0.50000000 1.0 Al Al17 1 0.00000000 0.20177000 0.97274200 1.0 Al Al18 1 0.40877700 0.81755300 0.00000000 1.0 Al Al19 1 0.47553400 0.75198500 0.75000000 1.0 Al Al20 1 0.83441900 0.71451100 0.25000000 1.0 Al Al21 1 0.59122300 0.18244700 0.00000000 1.0 Al Al22 1 0.61647100 0.00000000 0.89695200 1.0 Al Al23 1 0.20177000 0.20177000 0.47274200 1.0 Al Al24 1 0.59122300 0.18244700 0.50000000 1.0 Al Al25 1 0.27645200 0.52446600 0.75000000 1.0 Al Al26 1 0.71451100 0.83441900 0.25000000 1.0 Al Al27 1 0.20177000 0.00000000 0.97274200 1.0 Al Al28 1 0.40877700 0.81755300 0.50000000 1.0 Al Al29 1 0.47553400 0.72354800 0.25000000 1.0 Al Al30 1 0.38352900 0.00000000 0.39695200 1.0 Al Al31 1 0.11990900 0.83441900 0.75000000 1.0 Al Al32 1 0.20177000 0.20177000 0.02725800 1.0 Al Al33 1 0.00000000 0.38352900 0.39695200 1.0 Al Al34 1 0.00000000 0.79823000 0.02725800 1.0 Al Al35 1 0.20177000 0.00000000 0.52725800 1.0 Al Al36 1 0.59122300 0.40877700 0.00000000 1.0 Al Al37 1 0.72354800 0.47553400 0.25000000 1.0 Al Al38 1 0.52446600 0.24801500 0.25000000 1.0 Al Al39 1 0.59122300 0.40877700 0.50000000 1.0 Al Al40 1 0.18244700 0.59122300 0.00000000 1.0 Al Al41 1 0.18244700 0.59122300 0.50000000 1.0 Al Al42 1 0.38352900 0.38352900 0.89695200 1.0 Al Al43 1 0.28548900 0.11990900 0.25000000 1.0 Al Al44 1 0.16558100 0.88009100 0.25000000 1.0 Al Al45 1 0.61647100 0.61647100 0.10304800 1.0 Al Al46 1 0.83441900 0.11990900 0.75000000 1.0 Al Al47 1 0.28548900 0.16558100 0.75000000 1.0 Al Al48 1 0.88009100 0.16558100 0.25000000 1.0 Al Al49 1 0.00000000 0.61647100 0.60304800 1.0 Al Al50 1 0.00000000 0.20177000 0.52725800 1.0 Al Al51 1 0.38352900 0.00000000 0.10304800 1.0 Al Al52 1 0.88009100 0.71451100 0.75000000 1.0 Al Al53 1 0.11990900 0.28548900 0.25000000 1.0 Al Al54 1 0.52446600 0.27645200 0.75000000 1.0 Al Al55 1 0.79823000 0.79823000 0.97274200 1.0 Al Al56 1 0.00000000 0.61647100 0.89695200 1.0 Al Al57 1 0.16558100 0.28548900 0.75000000 1.0 Al Al58 1 0.61647100 0.00000000 0.60304800 1.0 Al Al59 1 0.27645200 0.75198500 0.25000000 1.0 Al Al60 1 0.24801500 0.72354800 0.75000000 1.0 Al Al61 1 0.40877700 0.59122300 0.50000000 1.0 Al Al62 1 0.38352900 0.38352900 0.60304800 1.0 Al Al63 1 0.81755300 0.40877700 0.00000000 1.0 Al Al64 1 0.00000000 0.38352900 0.10304800 1.0 Al Al65 1 0.24801500 0.52446600 0.25000000 1.0 Al Al66 1 0.71451100 0.88009100 0.75000000 1.0 Al Al67 1 0.40877700 0.59122300 0.00000000 1.0 Ru Ru68 1 0.20293500 0.79706500 0.00000000 1.0 Ru Ru69 1 0.79706500 0.59413000 0.50000000 1.0 Ru Ru70 1 0.59413000 0.79706500 0.50000000 1.0 Ru Ru71 1 0.40587000 0.20293500 0.00000000 1.0 Ru Ru72 1 0.20293500 0.40587000 0.00000000 1.0 Ru Ru73 1 0.20293500 0.79706500 0.50000000 1.0 Ru Ru74 1 0.40587000 0.20293500 0.50000000 1.0 Ru Ru75 1 0.79706500 0.59413000 0.00000000 1.0 Ru Ru76 1 0.79706500 0.20293500 0.50000000 1.0 Ru Ru77 1 0.59413000 0.79706500 0.00000000 1.0 Ru Ru78 1 0.20293500 0.40587000 0.50000000 1.0 Ru Ru79 1 0.79706500 0.20293500 0.00000000 1.0