# generated using pymatgen data_Sn4B3Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31533936 _cell_length_b 9.31534394 _cell_length_c 5.66277288 _cell_angle_alpha 90.00000114 _cell_angle_beta 89.99999941 _cell_angle_gamma 120.00004189 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn4B3Ir7 _chemical_formula_sum 'Sn8 B6 Ir14' _cell_volume 425.55644003 _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 Sn Sn0 1 0.50166555 0.09155404 0.75000000 1.0 Sn Sn1 1 0.09154567 0.58988153 0.25000001 1.0 Sn Sn2 1 0.90845075 0.41007270 0.74999999 1.0 Sn Sn3 1 0.58989733 0.49835829 0.74999998 1.0 Sn Sn4 1 0.49837949 0.90845924 0.25000001 1.0 Sn Sn5 1 0.33333769 0.66665852 0.74999997 1.0 Sn Sn6 1 0.41008873 0.50164443 0.25000003 1.0 Sn Sn7 1 0.66667110 0.33332501 0.25000000 1.0 B B8 1 0.82698814 0.78982381 0.25000002 1.0 B B9 1 0.96283137 0.17301225 0.25000004 1.0 B B10 1 0.21017560 0.03716868 0.25000002 1.0 B B11 1 0.78982067 0.96283401 0.74999996 1.0 B B12 1 0.03716548 0.82699140 0.74999998 1.0 B B13 1 0.17300906 0.21017924 0.74999996 1.0 Ir Ir14 1 0.12445439 0.35586138 0.99901086 1.0 Ir Ir15 1 0.76859857 0.12446080 0.49901048 1.0 Ir Ir16 1 0.76859860 0.12446079 0.00098952 1.0 Ir Ir17 1 0.64413605 0.76860189 0.50098975 1.0 Ir Ir18 1 0.12445439 0.35586141 0.50098911 1.0 Ir Ir19 1 0.87553549 0.64413510 0.00098936 1.0 Ir Ir20 1 0.35586209 0.23140940 0.00098871 1.0 Ir Ir21 1 0.23140616 0.87554232 0.50098878 1.0 Ir Ir22 1 0.87553549 0.64413506 0.49901061 1.0 Ir Ir23 1 0.35586212 0.23140942 0.49901127 1.0 Ir Ir24 1 0.23140613 0.87554232 0.99901126 1.0 Ir Ir25 1 -0.00000610 0.00000754 0.50000001 1.0 Ir Ir26 1 -0.00000612 0.00000753 0.00000001 1.0 Ir Ir27 1 0.64413607 0.76860190 0.99901028 1.0