# generated using pymatgen data_Sr2Si7Ir12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.77009233 _cell_length_b 9.77009220 _cell_length_c 3.91281234 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000134 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Si7Ir12 _chemical_formula_sum 'Sr2 Si7 Ir12' _cell_volume 323.45731332 _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 Sr Sr0 1 0.33333300 0.66666700 0.74869681 1.0 Sr Sr1 1 0.66666700 0.33333300 0.25130319 1.0 Si Si2 1 0.00000000 0.00000000 0.50000000 1.0 Si Si3 1 0.29005677 0.88880352 0.24911619 1.0 Si Si4 1 0.59874676 0.70994323 0.24911619 1.0 Si Si5 1 0.11119648 0.40125324 0.24911619 1.0 Si Si6 1 0.70994323 0.11119648 0.75088381 1.0 Si Si7 1 0.40125324 0.29005677 0.75088381 1.0 Si Si8 1 0.88880352 0.59874676 0.75088381 1.0 Ir Ir9 1 0.25754483 0.11487562 0.25335013 1.0 Ir Ir10 1 0.85733178 0.74245517 0.25335013 1.0 Ir Ir11 1 0.88512438 0.14266822 0.25335013 1.0 Ir Ir12 1 0.74245517 0.88512438 0.74664987 1.0 Ir Ir13 1 0.14266822 0.25754483 0.74664987 1.0 Ir Ir14 1 0.11487562 0.85733178 0.74664987 1.0 Ir Ir15 1 0.05656840 0.61830874 0.24893911 1.0 Ir Ir16 1 0.56174134 0.94343160 0.24893911 1.0 Ir Ir17 1 0.38169126 0.43825866 0.24893911 1.0 Ir Ir18 1 0.94343160 0.38169126 0.75106089 1.0 Ir Ir19 1 0.43825866 0.05656840 0.75106089 1.0 Ir Ir20 1 0.61830874 0.56174134 0.75106089 1.0