# generated using pymatgen data_Ca16Sb11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.33968700 _cell_length_b 12.31145500 _cell_length_c 12.31775500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca16Sb11 _chemical_formula_sum 'Ca32 Sb22' _cell_volume 1719.65770930 _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 Ca Ca0 1 0.86044700 0.50000000 0.00000000 1.0 Ca Ca1 1 0.13955300 0.00000000 0.50000000 1.0 Ca Ca2 1 0.49884300 0.63150100 0.13120900 1.0 Ca Ca3 1 0.50115700 0.13150100 0.36879100 1.0 Ca Ca4 1 0.49884300 0.36849900 0.86879100 1.0 Ca Ca5 1 0.50115700 0.86849900 0.63120900 1.0 Ca Ca6 1 0.00054200 0.79212000 0.08759800 1.0 Ca Ca7 1 0.99945800 0.29212000 0.41240200 1.0 Ca Ca8 1 0.00054200 0.20788000 0.91240200 1.0 Ca Ca9 1 0.99945800 0.70788000 0.58759800 1.0 Ca Ca10 1 0.99874200 0.08793800 0.20756800 1.0 Ca Ca11 1 0.00125800 0.58793800 0.29243200 1.0 Ca Ca12 1 0.99874200 0.91206200 0.79243200 1.0 Ca Ca13 1 0.00125800 0.41206200 0.70756800 1.0 Ca Ca14 1 0.21395700 0.50000000 0.00000000 1.0 Ca Ca15 1 0.78604300 0.00000000 0.50000000 1.0 Ca Ca16 1 0.71127900 0.92411400 0.21033700 1.0 Ca Ca17 1 0.28872100 0.42411400 0.28966300 1.0 Ca Ca18 1 0.71127900 0.07588600 0.78966300 1.0 Ca Ca19 1 0.28872100 0.57588600 0.71033700 1.0 Ca Ca20 1 0.28857500 0.20919000 0.07565400 1.0 Ca Ca21 1 0.71142500 0.70919000 0.42434600 1.0 Ca Ca22 1 0.28857500 0.79081000 0.92434600 1.0 Ca Ca23 1 0.71142500 0.29081000 0.57565400 1.0 Ca Ca24 1 0.68802300 0.57059500 0.70632300 1.0 Ca Ca25 1 0.31197700 0.07059500 0.79367700 1.0 Ca Ca26 1 0.68802300 0.42940500 0.29367700 1.0 Ca Ca27 1 0.31197700 0.92940500 0.20632300 1.0 Ca Ca28 1 0.31780300 0.70153800 0.43071400 1.0 Ca Ca29 1 0.68219700 0.20153800 0.06928600 1.0 Ca Ca30 1 0.31780300 0.29846200 0.56928600 1.0 Ca Ca31 1 0.68219700 0.79846200 0.93071400 1.0 Sb Sb32 1 0.85044500 0.50000000 0.50000000 1.0 Sb Sb33 1 0.14955500 0.00000000 0.00000000 1.0 Sb Sb34 1 0.15350500 0.50000000 0.50000000 1.0 Sb Sb35 1 0.84649500 0.00000000 0.00000000 1.0 Sb Sb36 1 0.96633500 0.85467800 0.35449500 1.0 Sb Sb37 1 0.03366500 0.35467800 0.14550500 1.0 Sb Sb38 1 0.96633500 0.14532200 0.64550500 1.0 Sb Sb39 1 0.03366500 0.64532200 0.85449500 1.0 Sb Sb40 1 0.51276000 0.87416400 0.37433400 1.0 Sb Sb41 1 0.48724000 0.37416400 0.12566600 1.0 Sb Sb42 1 0.51276000 0.12583600 0.62566600 1.0 Sb Sb43 1 0.48724000 0.62583600 0.87433400 1.0 Sb Sb44 1 0.76375600 0.66511600 0.16405200 1.0 Sb Sb45 1 0.23624400 0.16511600 0.33594800 1.0 Sb Sb46 1 0.76375600 0.33488400 0.83594800 1.0 Sb Sb47 1 0.23624400 0.83488400 0.66405200 1.0 Sb Sb48 1 0.23741200 0.67914400 0.18069900 1.0 Sb Sb49 1 0.76258800 0.17914400 0.31930100 1.0 Sb Sb50 1 0.23741200 0.32085600 0.81930100 1.0 Sb Sb51 1 0.76258800 0.82085600 0.68069900 1.0 Sb Sb52 1 0.50601400 0.50000000 0.50000000 1.0 Sb Sb53 1 0.49398600 0.00000000 0.00000000 1.0