# generated using pymatgen data_CaHf5(Be2Ir5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59605429 _cell_length_b 9.59605429 _cell_length_c 3.22728295 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.61500186 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf5(Be2Ir5)2 _chemical_formula_sum 'Ca1 Hf5 Be4 Ir10' _cell_volume 297.17524684 _cell_formula_units_Z 1 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 0.17582662 0.67582662 0.00000000 1.0 Hf Hf1 1 0.32420764 0.17497442 0.00000000 1.0 Hf Hf2 1 0.82475934 0.32475934 0.00000000 1.0 Hf Hf3 1 0.49631019 0.50085804 0.00000000 1.0 Hf Hf4 1 0.67497442 0.82420764 0.00000000 1.0 Hf Hf5 1 0.00085804 0.99631019 0.00000000 1.0 Be Be6 1 0.38316089 0.88316089 0.00000000 1.0 Be Be7 1 0.11626063 0.37779885 0.00000000 1.0 Be Be8 1 0.87779885 0.61626063 0.00000000 1.0 Be Be9 1 0.62226038 0.12226038 0.00000000 1.0 Ir Ir10 1 0.22469259 0.94583109 0.50000000 1.0 Ir Ir11 1 0.91434030 0.78374829 0.50000000 1.0 Ir Ir12 1 0.44583109 0.72469259 0.50000000 1.0 Ir Ir13 1 0.57404299 0.28572419 0.50000000 1.0 Ir Ir14 1 0.71270809 0.56742454 0.50000000 1.0 Ir Ir15 1 0.28374829 0.41434030 0.50000000 1.0 Ir Ir16 1 0.06742454 0.21270809 0.50000000 1.0 Ir Ir17 1 0.98982704 0.48982704 0.50000000 1.0 Ir Ir18 1 0.50524686 0.00524686 0.50000000 1.0 Ir Ir19 1 0.78572419 0.07404299 0.50000000 1.0