# generated using pymatgen data_Ba8Yb3Y9Sn16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23703807 _cell_length_b 8.72484769 _cell_length_c 16.57649996 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.97167064 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8Yb3Y9Sn16 _chemical_formula_sum 'Ba8 Yb3 Y9 Sn16' _cell_volume 1191.30156092 _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 Ba Ba0 1 0.50639174 0.67642287 0.59684151 1.0 Ba Ba1 1 0.00847671 0.82651707 0.90385712 1.0 Ba Ba2 1 0.49099454 0.32382151 0.09647679 1.0 Ba Ba3 1 0.99098428 0.17785041 0.40353339 1.0 Ba Ba4 1 0.49099454 0.32382151 0.40352321 1.0 Ba Ba5 1 0.99098428 0.17785041 0.09646661 1.0 Ba Ba6 1 0.50639174 0.67642287 0.90315849 1.0 Ba Ba7 1 0.00847671 0.82651707 0.59614288 1.0 Yb Yb8 1 0.33857725 0.99445488 0.75000000 1.0 Yb Yb9 1 0.16085171 0.49645111 0.25000000 1.0 Yb Yb10 1 0.66118960 0.00366264 0.25000000 1.0 Y Y11 1 0.67239585 0.16745273 0.62353791 1.0 Y Y12 1 0.17557797 0.32857372 0.87679581 1.0 Y Y13 1 0.32753748 0.82848238 0.12271920 1.0 Y Y14 1 0.82773839 0.67163198 0.37764661 1.0 Y Y15 1 0.32753748 0.82848238 0.37728080 1.0 Y Y16 1 0.82773839 0.67163198 0.12235339 1.0 Y Y17 1 0.67239585 0.16745273 0.87646209 1.0 Y Y18 1 0.17557797 0.32857372 0.62320419 1.0 Y Y19 1 0.84116054 0.49837990 0.75000000 1.0 Sn Sn20 1 0.65453091 0.95742146 0.45873436 1.0 Sn Sn21 1 0.15391820 0.54286753 0.04026329 1.0 Sn Sn22 1 0.34625251 0.04342859 0.95885387 1.0 Sn Sn23 1 0.84510818 0.45807013 0.54451717 1.0 Sn Sn24 1 0.34625251 0.04342859 0.54114613 1.0 Sn Sn25 1 0.84510818 0.45807013 0.95548283 1.0 Sn Sn26 1 0.65453091 0.95742146 0.04126564 1.0 Sn Sn27 1 0.15391820 0.54286753 0.45973671 1.0 Sn Sn28 1 0.47491738 0.36793204 0.75000000 1.0 Sn Sn29 1 0.97062068 0.13829281 0.75000000 1.0 Sn Sn30 1 0.53040976 0.63588187 0.25000000 1.0 Sn Sn31 1 0.03031385 0.86388991 0.25000000 1.0 Sn Sn32 1 0.71717739 0.88855089 0.75000000 1.0 Sn Sn33 1 0.20781974 0.60679657 0.75000000 1.0 Sn Sn34 1 0.28349460 0.10280385 0.25000000 1.0 Sn Sn35 1 0.78365098 0.39782572 0.25000000 1.0