# generated using pymatgen data_Zr5Pa3(InIr2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56576423 _cell_length_b 7.56576370 _cell_length_c 6.93004336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.19528032 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Pa3(InIr2)4 _chemical_formula_sum 'Zr5 Pa3 In4 Ir8' _cell_volume 396.64199301 _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 0.81733464 0.17900241 0.50000000 1.0 Zr Zr1 1 0.68133995 0.68133995 0.00000000 1.0 Zr Zr2 1 0.17900241 0.81733464 0.50000000 1.0 Zr Zr3 1 0.31916676 0.31916676 0.00000000 1.0 Zr Zr4 1 0.33979147 0.33979147 0.50000000 1.0 Pa Pa5 1 0.65377447 0.65377447 0.50000000 1.0 Pa Pa6 1 0.84414785 0.16084351 0.00000000 1.0 Pa Pa7 1 0.16084351 0.84414785 0.00000000 1.0 In In8 1 0.00617136 0.49822568 0.25523211 1.0 In In9 1 0.49822568 0.00617136 0.74476789 1.0 In In10 1 0.49822568 0.00617136 0.25523211 1.0 In In11 1 0.00617136 0.49822568 0.74476789 1.0 Ir Ir12 1 0.63656877 0.36880221 0.22304420 1.0 Ir Ir13 1 0.36880221 0.63656877 0.77695580 1.0 Ir Ir14 1 0.86221590 0.86221590 0.72282733 1.0 Ir Ir15 1 0.63656877 0.36880221 0.77695580 1.0 Ir Ir16 1 0.36880221 0.63656877 0.22304420 1.0 Ir Ir17 1 0.13031505 0.13031505 0.27638741 1.0 Ir Ir18 1 0.86221590 0.86221590 0.27717267 1.0 Ir Ir19 1 0.13031505 0.13031505 0.72361259 1.0