# generated using pymatgen data_Zr3Pa2FeBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.08584773 _cell_length_b 9.08584644 _cell_length_c 6.05612073 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.97758367 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Pa2FeBi3 _chemical_formula_sum 'Zr6 Pa4 Fe2 Bi6' _cell_volume 424.08409195 _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 Zr Zr0 1 0.74207407 0.00978223 0.25000000 1.0 Zr Zr1 1 0.00978223 0.74207407 0.25000000 1.0 Zr Zr2 1 0.66505609 0.33765776 0.00161478 1.0 Zr Zr3 1 0.33765776 0.66505609 0.00161478 1.0 Zr Zr4 1 0.33765776 0.66505609 0.49838522 1.0 Zr Zr5 1 0.66505609 0.33765776 0.49838522 1.0 Pa Pa6 1 0.78708688 0.78708688 0.75000000 1.0 Pa Pa7 1 0.23420734 0.00494814 0.75000000 1.0 Pa Pa8 1 0.00494814 0.23420734 0.75000000 1.0 Pa Pa9 1 0.21563019 0.21563019 0.25000000 1.0 Fe Fe10 1 0.99204128 0.99204128 0.02991676 1.0 Fe Fe11 1 0.99204128 0.99204128 0.47008324 1.0 Bi Bi12 1 0.40979667 0.40979667 0.75000000 1.0 Bi Bi13 1 0.59763039 0.00274821 0.75000000 1.0 Bi Bi14 1 0.00274821 0.59763039 0.75000000 1.0 Bi Bi15 1 0.61571490 0.61571490 0.25000000 1.0 Bi Bi16 1 0.39598558 0.99488410 0.25000000 1.0 Bi Bi17 1 0.99488410 0.39598558 0.25000000 1.0