# generated using pymatgen data_Zr4Fe3Si4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98107428 _cell_length_b 6.49733713 _cell_length_c 7.18478988 _cell_angle_alpha 89.48508373 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Fe3Si4Ir _chemical_formula_sum 'Zr4 Fe3 Si4 Ir1' _cell_volume 185.83701284 _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 0.25000000 0.99688742 0.30916289 1.0 Zr Zr1 1 0.25000000 0.50199822 0.20177853 1.0 Zr Zr2 1 0.75000000 0.99867008 0.68887427 1.0 Zr Zr3 1 0.75000000 0.49864106 0.80071308 1.0 Fe Fe4 1 0.25000000 0.66322640 0.56794515 1.0 Fe Fe5 1 0.75000000 0.84148987 0.06920906 1.0 Fe Fe6 1 0.75000000 0.34282954 0.42935852 1.0 Si Si7 1 0.25000000 0.29172641 0.59993231 1.0 Si Si8 1 0.25000000 0.78248298 0.89242419 1.0 Si Si9 1 0.75000000 0.71085035 0.39394282 1.0 Si Si10 1 0.75000000 0.21335095 0.11490808 1.0 Ir Ir11 1 0.25000000 0.15784572 0.93175010 1.0