# generated using pymatgen data_Ba11Sb10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.81708933 _cell_length_b 13.34859018 _cell_length_c 13.59476874 _cell_angle_alpha 119.40276646 _cell_angle_beta 118.12507801 _cell_angle_gamma 89.99999934 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba11Sb10 _chemical_formula_sum 'Ba22 Sb20' _cell_volume 1704.06111765 _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 Ba Ba0 1 0.11069037 0.43324200 0.22137974 1.0 Ba Ba1 1 0.88930963 0.56675800 0.77862026 1.0 Ba Ba2 1 0.88930963 0.21186126 0.77862026 1.0 Ba Ba3 1 0.11069037 0.78813874 0.22137974 1.0 Ba Ba4 1 0.14708435 0.14708435 0.29416970 1.0 Ba Ba5 1 0.85291565 0.85291565 0.70583030 1.0 Ba Ba6 1 0.31327013 0.56540348 0.62654026 1.0 Ba Ba7 1 0.68672987 0.43459652 0.37345974 1.0 Ba Ba8 1 0.68672987 0.93886322 0.37345974 1.0 Ba Ba9 1 0.31327013 0.06113678 0.62654026 1.0 Ba Ba10 1 0.42735101 0.09975400 0.19950901 1.0 Ba Ba11 1 0.22784200 0.90024600 0.80049099 1.0 Ba Ba12 1 0.57264899 0.90024600 0.80049099 1.0 Ba Ba13 1 0.77215800 0.09975400 0.19950901 1.0 Ba Ba14 1 0.55294533 0.30351364 0.60702929 1.0 Ba Ba15 1 0.94591704 0.69648636 0.39297071 1.0 Ba Ba16 1 0.44705467 0.69648636 0.39297071 1.0 Ba Ba17 1 0.05408296 0.30351364 0.60702929 1.0 Ba Ba18 1 0.32593669 0.33578333 0.00000000 1.0 Ba Ba19 1 0.32593669 0.66421667 0.00000000 1.0 Ba Ba20 1 0.67406331 0.33578333 -0.00000000 1.0 Ba Ba21 1 0.67406331 0.66421667 -0.00000000 1.0 Sb Sb22 1 0.38590538 0.38590538 0.77180975 1.0 Sb Sb23 1 0.61409462 0.61409462 0.22819025 1.0 Sb Sb24 1 0.74465257 0.24465257 0.48930515 1.0 Sb Sb25 1 0.25534743 0.75534743 0.51069485 1.0 Sb Sb26 1 0.50000000 0.84831828 0.00000000 1.0 Sb Sb27 1 0.50000000 0.15168172 -0.00000000 1.0 Sb Sb28 1 0.11339277 0.50000000 -0.00000000 1.0 Sb Sb29 1 0.88660723 0.50000000 0.00000000 1.0 Sb Sb30 1 0.39955259 0.39695533 0.37093506 1.0 Sb Sb31 1 0.02861654 0.60304467 0.62906494 1.0 Sb Sb32 1 0.60044741 0.02602028 0.62906494 1.0 Sb Sb33 1 0.97138346 0.97397972 0.37093506 1.0 Sb Sb34 1 0.60044741 0.60304467 0.62906494 1.0 Sb Sb35 1 0.97138346 0.39695533 0.37093506 1.0 Sb Sb36 1 0.39955259 0.97397972 0.37093506 1.0 Sb Sb37 1 0.02861654 0.02602028 0.62906494 1.0 Sb Sb38 1 0.10874908 0.12996755 -0.00000000 1.0 Sb Sb39 1 0.10874908 0.87003245 -0.00000000 1.0 Sb Sb40 1 0.89125092 0.12996755 0.00000000 1.0 Sb Sb41 1 0.89125092 0.87003245 0.00000000 1.0