# generated using pymatgen data_Yb5P12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.61832087 _cell_length_b 12.61832087 _cell_length_c 3.93629185 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00043355 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb5P12Ir19 _chemical_formula_sum 'Yb5 P12 Ir19' _cell_volume 542.77415455 _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 Yb Yb0 1 0.33333686 0.66667492 0.00000000 1.0 Yb Yb1 1 0.66667492 0.33333686 0.00000000 1.0 Yb Yb2 1 0.18145922 0.18145922 0.50000000 1.0 Yb Yb3 1 0.81853744 0.00000647 0.50000000 1.0 Yb Yb4 1 0.00000647 0.81853744 0.50000000 1.0 P P5 1 0.82236619 0.82236619 0.00000000 1.0 P P6 1 0.17762242 0.99998384 0.00000000 1.0 P P7 1 0.99998384 0.17762242 0.00000000 1.0 P P8 1 0.31263762 0.82946303 0.50000000 1.0 P P9 1 0.17052564 0.48317103 0.50000000 1.0 P P10 1 0.51683001 0.68736895 0.50000000 1.0 P P11 1 0.82946303 0.31263762 0.50000000 1.0 P P12 1 0.48317103 0.17052564 0.50000000 1.0 P P13 1 0.68736895 0.51683001 0.50000000 1.0 P P14 1 0.35432606 0.35432606 0.00000000 1.0 P P15 1 0.64568931 0.00000878 0.00000000 1.0 P P16 1 0.00000878 0.64568931 0.00000000 1.0 Ir Ir17 1 0.19241430 0.81919529 0.00000000 1.0 Ir Ir18 1 0.18078286 0.37321254 0.00000000 1.0 Ir Ir19 1 0.62678153 0.80759965 0.00000000 1.0 Ir Ir20 1 0.81919529 0.19241430 0.00000000 1.0 Ir Ir21 1 0.37321254 0.18078286 0.00000000 1.0 Ir Ir22 1 0.80759965 0.62678153 0.00000000 1.0 Ir Ir23 1 0.71550387 0.71550387 0.50000000 1.0 Ir Ir24 1 0.28450485 0.99998361 0.50000000 1.0 Ir Ir25 1 0.99998361 0.28450485 0.50000000 1.0 Ir Ir26 1 0.13528651 0.64051875 0.50000000 1.0 Ir Ir27 1 0.35948231 0.49477857 0.50000000 1.0 Ir Ir28 1 0.50523366 0.86472264 0.50000000 1.0 Ir Ir29 1 0.64051875 0.13528651 0.50000000 1.0 Ir Ir30 1 0.49477857 0.35948231 0.50000000 1.0 Ir Ir31 1 0.86472264 0.50523366 0.50000000 1.0 Ir Ir32 1 0.53363959 0.53363959 0.00000000 1.0 Ir Ir33 1 0.46637058 0.99999153 0.00000000 1.0 Ir Ir34 1 0.99999153 0.46637058 0.00000000 1.0 Ir Ir35 1 0.99998954 0.99998954 0.00000000 1.0