# generated using pymatgen data_ZrSc3Si6Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97458164 _cell_length_b 6.97458055 _cell_length_c 6.97458177 _cell_angle_alpha 109.56681110 _cell_angle_beta 109.56679957 _cell_angle_gamma 109.56681166 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc3Si6Ir7 _chemical_formula_sum 'Zr1 Sc3 Si6 Ir7' _cell_volume 260.24715522 _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 0.50000000 0.50000000 0.50000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc2 1 0.00000000 0.50000000 0.00000000 1.0 Sc Sc3 1 0.50000000 0.00000000 0.00000000 1.0 Si Si4 1 0.68275970 0.68275970 0.00339878 1.0 Si Si5 1 0.31724030 0.99660122 0.31724030 1.0 Si Si6 1 0.99660122 0.31724030 0.31724030 1.0 Si Si7 1 0.31724030 0.31724030 0.99660122 1.0 Si Si8 1 0.68275970 0.00339878 0.68275970 1.0 Si Si9 1 0.00339878 0.68275970 0.68275970 1.0 Ir Ir10 1 0.74963489 0.25036511 0.50000000 1.0 Ir Ir11 1 0.74963489 0.50000000 0.25036511 1.0 Ir Ir12 1 0.50000000 0.25036511 0.74963489 1.0 Ir Ir13 1 0.25036511 0.50000000 0.74963489 1.0 Ir Ir14 1 0.25036511 0.74963489 0.50000000 1.0 Ir Ir15 1 0.50000000 0.74963489 0.25036511 1.0 Ir Ir16 1 0.00000000 0.00000000 0.00000000 1.0