# generated using pymatgen data_Zr3Pa2FeSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.92709311 _cell_length_b 8.92709215 _cell_length_c 5.90875865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.58918118 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Pa2FeSb3 _chemical_formula_sum 'Zr6 Pa4 Fe2 Sb6' _cell_volume 401.11338425 _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 0.74121366 0.00961812 0.25000000 1.0 Zr Zr1 1 0.00961812 0.74121366 0.25000000 1.0 Zr Zr2 1 0.66609994 0.33670813 0.00078424 1.0 Zr Zr3 1 0.33670813 0.66609994 0.00078424 1.0 Zr Zr4 1 0.33670813 0.66609994 0.49921576 1.0 Zr Zr5 1 0.66609994 0.33670813 0.49921576 1.0 Pa Pa6 1 0.77110984 0.77110984 0.75000000 1.0 Pa Pa7 1 0.24523928 0.00332463 0.75000000 1.0 Pa Pa8 1 0.00332463 0.24523928 0.75000000 1.0 Pa Pa9 1 0.22247086 0.22247086 0.25000000 1.0 Fe Fe10 1 0.99423085 0.99423085 0.01441526 1.0 Fe Fe11 1 0.99423085 0.99423085 0.48558474 1.0 Sb Sb12 1 0.40460759 0.40460759 0.75000000 1.0 Sb Sb13 1 0.60061854 0.00184436 0.75000000 1.0 Sb Sb14 1 0.00184436 0.60061854 0.75000000 1.0 Sb Sb15 1 0.61447568 0.61447568 0.25000000 1.0 Sb Sb16 1 0.39562057 0.99577702 0.25000000 1.0 Sb Sb17 1 0.99577702 0.39562057 0.25000000 1.0