# generated using pymatgen data_Zr7Pa(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.73113152 _cell_length_b 12.73113211 _cell_length_c 3.94780267 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.16850608 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr7Pa(P3Ir4)4 _chemical_formula_sum 'Zr7 Pa1 P12 Ir16' _cell_volume 553.19744751 _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 Zr Zr0 1 0.44905073 0.44905073 0.00000000 1.0 Zr Zr1 1 0.54807591 0.00029150 0.00000000 1.0 Zr Zr2 1 0.00029150 0.54807591 0.00000000 1.0 Zr Zr3 1 0.66639997 0.33447670 0.00000000 1.0 Zr Zr4 1 0.33447670 0.66639997 0.00000000 1.0 Zr Zr5 1 0.18027158 0.00003355 0.50000000 1.0 Zr Zr6 1 0.00003355 0.18027158 0.50000000 1.0 Pa Pa7 1 0.82356635 0.82356635 0.50000000 1.0 P P8 1 0.64313778 0.64313778 0.00000000 1.0 P P9 1 0.35149353 0.00071103 0.00000000 1.0 P P10 1 0.00071103 0.35149353 0.00000000 1.0 P P11 1 0.48280151 0.31492454 0.50000000 1.0 P P12 1 0.68351294 0.16940119 0.50000000 1.0 P P13 1 0.83099429 0.51627447 0.50000000 1.0 P P14 1 0.51627447 0.83099429 0.50000000 1.0 P P15 1 0.16940119 0.68351294 0.50000000 1.0 P P16 1 0.82742598 0.00638440 0.00000000 1.0 P P17 1 0.00638440 0.82742598 0.00000000 1.0 P P18 1 0.31492454 0.48280151 0.50000000 1.0 P P19 1 0.17330851 0.17330851 0.00000000 1.0 Ir Ir20 1 0.18691467 0.36449295 0.00000000 1.0 Ir Ir21 1 0.17968368 0.81267766 0.00000000 1.0 Ir Ir22 1 0.82288368 0.63332681 0.00000000 1.0 Ir Ir23 1 0.81267766 0.17968368 0.00000000 1.0 Ir Ir24 1 0.36449295 0.18691467 0.00000000 1.0 Ir Ir25 1 0.14116962 0.49402584 0.50000000 1.0 Ir Ir26 1 0.35426912 0.85784502 0.50000000 1.0 Ir Ir27 1 0.50614358 0.64590276 0.50000000 1.0 Ir Ir28 1 0.64590276 0.50614358 0.50000000 1.0 Ir Ir29 1 0.85784502 0.35426912 0.50000000 1.0 Ir Ir30 1 0.49402584 0.14116962 0.50000000 1.0 Ir Ir31 1 0.99867380 0.99867380 0.00000000 1.0 Ir Ir32 1 0.71893868 0.00119751 0.50000000 1.0 Ir Ir33 1 0.00119751 0.71893868 0.50000000 1.0 Ir Ir34 1 0.63332681 0.82288368 0.00000000 1.0 Ir Ir35 1 0.27931718 0.27931718 0.50000000 1.0