# generated using pymatgen data_Ho2Th2SiI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25778491 _cell_length_b 14.24857751 _cell_length_c 14.91162527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2Th2SiI6 _chemical_formula_sum 'Ho4 Th4 Si2 I12' _cell_volume 904.64921047 _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 Ho Ho0 1 0.50000000 0.11085308 0.35272679 1.0 Ho Ho1 1 0.50000000 0.88914692 0.64727321 1.0 Ho Ho2 1 0.50000000 0.61085308 0.14727321 1.0 Ho Ho3 1 0.50000000 0.38914692 0.85272679 1.0 Th Th4 1 0.00000000 0.10868114 0.57456193 1.0 Th Th5 1 0.00000000 0.89131886 0.42543807 1.0 Th Th6 1 0.00000000 0.60868114 0.92543807 1.0 Th Th7 1 0.00000000 0.39131886 0.07456193 1.0 Si Si8 1 0.50000000 0.00000000 0.50000000 1.0 Si Si9 1 0.50000000 0.50000000 0.00000000 1.0 I I10 1 0.50000000 0.24431743 0.16856963 1.0 I I11 1 0.50000000 0.75568257 0.83143037 1.0 I I12 1 0.50000000 0.74431743 0.33143037 1.0 I I13 1 0.50000000 0.25568257 0.66856963 1.0 I I14 1 0.00000000 0.25584087 0.41006469 1.0 I I15 1 0.00000000 0.74415913 0.58993531 1.0 I I16 1 0.00000000 0.75584087 0.08993531 1.0 I I17 1 0.00000000 0.24415913 0.91006469 1.0 I I18 1 0.00000000 0.00756679 0.23932170 1.0 I I19 1 0.00000000 0.99243321 0.76067830 1.0 I I20 1 0.00000000 0.50756679 0.26067830 1.0 I I21 1 0.00000000 0.49243321 0.73932170 1.0