# generated using pymatgen data_Ce(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83800944 _cell_length_b 6.83800944 _cell_length_c 9.10964405 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.27210316 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce(Al5Ru)2 _chemical_formula_sum 'Ce2 Al20 Ru4' _cell_volume 422.52585759 _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 Ce Ce0 1 0.87622811 0.12377189 0.75000000 1.0 Ce Ce1 1 0.12377189 0.87622811 0.25000000 1.0 Al Al2 1 0.59220029 0.86164793 0.25000000 1.0 Al Al3 1 0.77922149 0.51853083 0.25000000 1.0 Al Al4 1 0.16052363 0.83947637 0.89876165 1.0 Al Al5 1 0.40779971 0.13835207 0.75000000 1.0 Al Al6 1 0.62268088 0.37731912 0.94862129 1.0 Al Al7 1 0.83947637 0.16052363 0.39876165 1.0 Al Al8 1 0.77223362 0.77223362 0.00000000 1.0 Al Al9 1 0.86164793 0.59220029 0.75000000 1.0 Al Al10 1 0.83947637 0.16052363 0.10123835 1.0 Al Al11 1 0.22077851 0.48146917 0.75000000 1.0 Al Al12 1 0.16052363 0.83947637 0.60123835 1.0 Al Al13 1 0.77223362 0.77223362 0.50000000 1.0 Al Al14 1 0.48146917 0.22077851 0.25000000 1.0 Al Al15 1 0.62268088 0.37731912 0.55137871 1.0 Al Al16 1 0.22776638 0.22776638 0.50000000 1.0 Al Al17 1 0.37731912 0.62268088 0.44862129 1.0 Al Al18 1 0.13835207 0.40779971 0.25000000 1.0 Al Al19 1 0.51853083 0.77922149 0.75000000 1.0 Al Al20 1 0.37731912 0.62268088 0.05137871 1.0 Al Al21 1 0.22776638 0.22776638 0.00000000 1.0 Ru Ru22 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru23 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru24 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru25 1 0.00000000 0.50000000 0.50000000 1.0