# generated using pymatgen data_Ca11Ho9Sn16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86278509 _cell_length_b 8.42135469 _cell_length_c 15.91857888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.01705332 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11Ho9Sn16 _chemical_formula_sum 'Ca11 Ho9 Sn16' _cell_volume 1054.05346268 _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 Ca Ca0 1 0.50627510 0.68648578 0.59391605 1.0 Ca Ca1 1 0.00721682 0.81508207 0.90735509 1.0 Ca Ca2 1 0.49118221 0.31178601 0.09179680 1.0 Ca Ca3 1 0.99238846 0.18792226 0.40840735 1.0 Ca Ca4 1 0.49118221 0.31178601 0.40820320 1.0 Ca Ca5 1 0.99238846 0.18792226 0.09159265 1.0 Ca Ca6 1 0.50627510 0.68648578 0.90608395 1.0 Ca Ca7 1 0.00721682 0.81508207 0.59264491 1.0 Ca Ca8 1 0.33927817 0.98750375 0.75000000 1.0 Ca Ca9 1 0.16170291 0.48720460 0.25000000 1.0 Ca Ca10 1 0.66186740 0.01178833 0.25000000 1.0 Ho Ho11 1 0.67618921 0.16511162 0.62314613 1.0 Ho Ho12 1 0.17712972 0.33297187 0.87685103 1.0 Ho Ho13 1 0.32410968 0.83269540 0.12204550 1.0 Ho Ho14 1 0.82450588 0.66586687 0.37838634 1.0 Ho Ho15 1 0.32410968 0.83269540 0.37795450 1.0 Ho Ho16 1 0.82450588 0.66586687 0.12161366 1.0 Ho Ho17 1 0.67618921 0.16511162 0.87685387 1.0 Ho Ho18 1 0.17712972 0.33297187 0.62314897 1.0 Ho Ho19 1 0.84053680 0.51158375 0.75000000 1.0 Sn Sn20 1 0.66779203 0.96169029 0.45973940 1.0 Sn Sn21 1 0.16731247 0.53804755 0.03958898 1.0 Sn Sn22 1 0.33391743 0.03766235 0.95878463 1.0 Sn Sn23 1 0.83275292 0.46466066 0.54433166 1.0 Sn Sn24 1 0.33391743 0.03766235 0.54121537 1.0 Sn Sn25 1 0.83275292 0.46466066 0.95566834 1.0 Sn Sn26 1 0.66779203 0.96169029 0.04026060 1.0 Sn Sn27 1 0.16731247 0.53804755 0.46041102 1.0 Sn Sn28 1 0.47796718 0.37760124 0.75000000 1.0 Sn Sn29 1 0.97350087 0.13155265 0.75000000 1.0 Sn Sn30 1 0.52676198 0.62770569 0.25000000 1.0 Sn Sn31 1 0.02619717 0.87099430 0.25000000 1.0 Sn Sn32 1 0.72574357 0.86905583 0.75000000 1.0 Sn Sn33 1 0.21189208 0.62600141 0.75000000 1.0 Sn Sn34 1 0.27644346 0.12171953 0.25000000 1.0 Sn Sn35 1 0.77656355 0.37732345 0.25000000 1.0