# generated using pymatgen data_Dy3Re(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97221415 _cell_length_b 11.05727868 _cell_length_c 12.71826691 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy3Re(P3Ir4)2 _chemical_formula_sum 'Dy6 Re2 P12 Ir16' _cell_volume 558.61017836 _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 Dy Dy0 1 0.00000000 0.50000000 0.52364022 1.0 Dy Dy1 1 0.50000000 0.00000000 0.47635978 1.0 Dy Dy2 1 0.50000000 0.82013012 0.20639150 1.0 Dy Dy3 1 0.50000000 0.17986988 0.20639150 1.0 Dy Dy4 1 0.00000000 0.67986988 0.79360850 1.0 Dy Dy5 1 0.00000000 0.32013012 0.79360850 1.0 Re Re6 1 0.50000000 0.50000000 0.16377796 1.0 Re Re7 1 0.00000000 0.00000000 0.83622204 1.0 P P8 1 0.50000000 0.50000000 0.87491216 1.0 P P9 1 0.00000000 0.00000000 0.12508784 1.0 P P10 1 0.50000000 0.50000000 0.35007786 1.0 P P11 1 0.00000000 0.00000000 0.64992214 1.0 P P12 1 0.50000000 0.31587875 0.61791814 1.0 P P13 1 0.50000000 0.68412125 0.61791814 1.0 P P14 1 0.00000000 0.18412125 0.38208186 1.0 P P15 1 0.00000000 0.81587875 0.38208186 1.0 P P16 1 0.50000000 0.84304106 0.88562994 1.0 P P17 1 0.50000000 0.15695894 0.88562994 1.0 P P18 1 0.00000000 0.65695894 0.11437006 1.0 P P19 1 0.00000000 0.34304106 0.11437006 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69903484 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30096516 1.0 Ir Ir22 1 0.00000000 0.50000000 0.00017743 1.0 Ir Ir23 1 0.50000000 0.00000000 0.99982257 1.0 Ir Ir24 1 0.50000000 0.33209069 0.98133459 1.0 Ir Ir25 1 0.50000000 0.66790931 0.98133459 1.0 Ir Ir26 1 0.00000000 0.16790931 0.01866541 1.0 Ir Ir27 1 0.00000000 0.83209069 0.01866541 1.0 Ir Ir28 1 0.50000000 0.29988842 0.43232236 1.0 Ir Ir29 1 0.50000000 0.70011158 0.43232236 1.0 Ir Ir30 1 0.00000000 0.20011158 0.56767764 1.0 Ir Ir31 1 0.00000000 0.79988842 0.56767764 1.0 Ir Ir32 1 0.50000000 0.87215670 0.71092193 1.0 Ir Ir33 1 0.50000000 0.12784330 0.71092193 1.0 Ir Ir34 1 0.00000000 0.62784330 0.28907807 1.0 Ir Ir35 1 0.00000000 0.37215670 0.28907807 1.0