# generated using pymatgen data_Zr4Al2Fe4Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.70373516 _cell_length_b 9.70373502 _cell_length_c 9.70373511 _cell_angle_alpha 93.77437572 _cell_angle_beta 93.77437220 _cell_angle_gamma 150.26685234 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Al2Fe4Si5 _chemical_formula_sum 'Zr8 Al4 Fe8 Si10' _cell_volume 438.00386681 _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 0.50000000 0.30820058 0.80820158 1.0 Zr Zr1 1 0.50000000 0.69179942 0.19179942 1.0 Zr Zr2 1 0.69179942 0.50000000 0.19179942 1.0 Zr Zr3 1 0.30820058 0.50000000 0.80820158 1.0 Zr Zr4 1 0.13863801 0.13863801 0.27727602 1.0 Zr Zr5 1 0.86136199 0.86136199 0.72272398 1.0 Zr Zr6 1 0.86136199 0.13863801 0.00000000 1.0 Zr Zr7 1 0.13863801 0.86136199 1.00000000 1.0 Al Al8 1 0.50000000 0.90262445 0.40262545 1.0 Al Al9 1 0.50000000 0.09737555 0.59737555 1.0 Al Al10 1 0.09737555 0.50000000 0.59737555 1.0 Al Al11 1 0.90262445 0.50000000 0.40262545 1.0 Fe Fe12 1 0.90202939 0.40202939 0.80405778 1.0 Fe Fe13 1 0.59796961 0.09797061 0.19594222 1.0 Fe Fe14 1 0.09797061 0.90202939 0.50000000 1.0 Fe Fe15 1 0.40202939 0.59796961 0.49999900 1.0 Fe Fe16 1 0.09797061 0.59796961 0.19594222 1.0 Fe Fe17 1 0.40202939 0.90202939 0.80405778 1.0 Fe Fe18 1 0.90202939 0.09797061 0.50000000 1.0 Fe Fe19 1 0.59796961 0.40202939 0.49999900 1.0 Si Si20 1 0.00000000 0.30420006 0.30420006 1.0 Si Si21 1 0.00000000 0.69580094 0.69580094 1.0 Si Si22 1 0.69580094 0.00000000 0.69580094 1.0 Si Si23 1 0.30420006 0.00000000 0.30420006 1.0 Si Si24 1 0.29183096 0.29183096 0.58366293 1.0 Si Si25 1 0.70816904 0.70816904 0.41633707 1.0 Si Si26 1 0.70816904 0.29183096 0.00000000 1.0 Si Si27 1 0.29183096 0.70816904 1.00000000 1.0 Si Si28 1 0.24878922 0.24878922 0.00000000 1.0 Si Si29 1 0.75121178 0.75121178 1.00000000 1.0