# generated using pymatgen data_Ce5Ge2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99110300 _cell_length_b 8.70317900 _cell_length_c 11.88413500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce5Ge2Ir _chemical_formula_sum 'Ce20 Ge8 Ir4' _cell_volume 826.51781880 _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 0.67166300 0.75000000 0.71737900 1.0 Ce Ce1 1 0.32833700 0.25000000 0.28262100 1.0 Ce Ce2 1 0.17166300 0.25000000 0.78262100 1.0 Ce Ce3 1 0.82833700 0.75000000 0.21737900 1.0 Ce Ce4 1 0.14980600 0.75000000 0.79453800 1.0 Ce Ce5 1 0.85019400 0.25000000 0.20546200 1.0 Ce Ce6 1 0.64980600 0.25000000 0.70546200 1.0 Ce Ce7 1 0.35019400 0.75000000 0.29453800 1.0 Ce Ce8 1 0.53724800 0.75000000 0.99952600 1.0 Ce Ce9 1 0.46275200 0.25000000 0.00047400 1.0 Ce Ce10 1 0.03724800 0.25000000 0.50047400 1.0 Ce Ce11 1 0.96275200 0.75000000 0.49952600 1.0 Ce Ce12 1 0.80863200 0.45838100 0.92491600 1.0 Ce Ce13 1 0.19136800 0.54161900 0.07508400 1.0 Ce Ce14 1 0.30863200 0.54161900 0.57508400 1.0 Ce Ce15 1 0.19136800 0.95838100 0.07508400 1.0 Ce Ce16 1 0.69136800 0.45838100 0.42491600 1.0 Ce Ce17 1 0.80863200 0.04161900 0.92491600 1.0 Ce Ce18 1 0.69136800 0.04161900 0.42491600 1.0 Ce Ce19 1 0.30863200 0.95838100 0.57508400 1.0 Ge Ge20 1 0.94143900 0.00569000 0.67261600 1.0 Ge Ge21 1 0.05856100 0.99431000 0.32738400 1.0 Ge Ge22 1 0.44143900 0.99431000 0.82738400 1.0 Ge Ge23 1 0.05856100 0.50569000 0.32738400 1.0 Ge Ge24 1 0.55856100 0.00569000 0.17261600 1.0 Ge Ge25 1 0.94143900 0.49431000 0.67261600 1.0 Ge Ge26 1 0.55856100 0.49431000 0.17261600 1.0 Ge Ge27 1 0.44143900 0.50569000 0.82738400 1.0 Ir Ir28 1 0.92334200 0.75000000 0.98309700 1.0 Ir Ir29 1 0.07665800 0.25000000 0.01690300 1.0 Ir Ir30 1 0.42334200 0.25000000 0.51690300 1.0 Ir Ir31 1 0.57665800 0.75000000 0.48309700 1.0