# generated using pymatgen data_Ca11Sb10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.01757820 _cell_length_b 12.01757806 _cell_length_c 12.10675775 _cell_angle_alpha 119.75662422 _cell_angle_beta 119.75662842 _cell_angle_gamma 90.00000316 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11Sb10 _chemical_formula_sum 'Ca22 Sb20' _cell_volume 1245.40583493 _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 0.18916995 0.44086790 0.37833989 1.0 Ca Ca1 1 0.93747299 0.18916995 0.37833989 1.0 Ca Ca2 1 0.44086790 0.18916995 0.37833989 1.0 Ca Ca3 1 0.81083005 0.55913210 0.62166011 1.0 Ca Ca4 1 0.81083005 0.06252701 0.62166011 1.0 Ca Ca5 1 0.06252701 0.81083005 0.62166011 1.0 Ca Ca6 1 0.55913210 0.81083005 0.62166011 1.0 Ca Ca7 1 0.18916995 0.93747299 0.37833989 1.0 Ca Ca8 1 0.16459806 0.16459806 0.00000000 1.0 Ca Ca9 1 0.83540194 0.16459806 0.00000000 1.0 Ca Ca10 1 0.16459806 0.83540194 -0.00000000 1.0 Ca Ca11 1 0.83540194 0.83540194 -0.00000000 1.0 Ca Ca12 1 0.33489259 0.33489259 0.66978418 1.0 Ca Ca13 1 0.66510741 0.66510741 0.33021582 1.0 Ca Ca14 1 0.39668070 0.73605458 0.79336041 1.0 Ca Ca15 1 0.05730583 0.39668070 0.79336041 1.0 Ca Ca16 1 0.73605458 0.39668070 0.79336041 1.0 Ca Ca17 1 0.60331930 0.26394542 0.20663959 1.0 Ca Ca18 1 0.60331930 0.94269417 0.20663959 1.0 Ca Ca19 1 0.94269417 0.60331930 0.20663959 1.0 Ca Ca20 1 0.26394542 0.60331930 0.20663959 1.0 Ca Ca21 1 0.39668070 0.05730583 0.79336041 1.0 Sb Sb22 1 0.34818279 -0.00000000 -0.00000000 1.0 Sb Sb23 1 -0.00000000 0.34818279 0.00000000 1.0 Sb Sb24 1 0.00000000 0.65181721 -0.00000000 1.0 Sb Sb25 1 0.65181721 0.00000000 0.00000000 1.0 Sb Sb26 1 0.12851436 0.12851436 0.25702871 1.0 Sb Sb27 1 0.87148564 0.87148564 0.74297129 1.0 Sb Sb28 1 0.37344877 0.37344877 -0.00000000 1.0 Sb Sb29 1 0.62655123 0.37344877 -0.00000000 1.0 Sb Sb30 1 0.37344877 0.62655123 0.00000000 1.0 Sb Sb31 1 0.62655123 0.62655123 0.00000000 1.0 Sb Sb32 1 0.25000000 0.75000000 0.50000000 1.0 Sb Sb33 1 0.75000000 0.25000000 0.50000000 1.0 Sb Sb34 1 0.53102133 0.53102133 0.65012050 1.0 Sb Sb35 1 0.11909917 0.53102133 0.65012050 1.0 Sb Sb36 1 0.53102133 0.11909917 0.65012050 1.0 Sb Sb37 1 0.88090083 0.46897867 0.34987950 1.0 Sb Sb38 1 0.46897867 0.88090083 0.34987950 1.0 Sb Sb39 1 0.88090083 0.88090083 0.34987950 1.0 Sb Sb40 1 0.46897867 0.46897867 0.34987950 1.0 Sb Sb41 1 0.11909917 0.11909917 0.65012050 1.0