# generated using pymatgen data_ZrSi2MoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85402329 _cell_length_b 6.44121868 _cell_length_c 7.27822242 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSi2MoIr2 _chemical_formula_sum 'Zr2 Si4 Mo2 Ir4' _cell_volume 180.67901020 _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 0.75000000 0.97568913 0.67168841 1.0 Zr Zr1 1 0.75000000 0.47568913 0.82831159 1.0 Si Si2 1 0.25000000 0.26861174 0.61148013 1.0 Si Si3 1 0.25000000 0.76861174 0.88851987 1.0 Si Si4 1 0.75000000 0.72640227 0.36693105 1.0 Si Si5 1 0.75000000 0.22640227 0.13306895 1.0 Mo Mo6 1 0.25000000 0.02478451 0.32135537 1.0 Mo Mo7 1 0.25000000 0.52478451 0.17864463 1.0 Ir Ir8 1 0.25000000 0.14821560 0.93751914 1.0 Ir Ir9 1 0.25000000 0.64821560 0.56248086 1.0 Ir Ir10 1 0.75000000 0.85629775 0.06376037 1.0 Ir Ir11 1 0.75000000 0.35629775 0.43623963 1.0