# generated using pymatgen data_Tm4SiI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16323307 _cell_length_b 13.89715092 _cell_length_c 14.37996536 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4SiI6 _chemical_formula_sum 'Tm8 Si2 I12' _cell_volume 831.98278215 _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 Tm Tm0 1 0.50000000 0.11840473 0.35087421 1.0 Tm Tm1 1 0.50000000 0.88159527 0.64912579 1.0 Tm Tm2 1 0.50000000 0.61840473 0.14912579 1.0 Tm Tm3 1 0.50000000 0.38159527 0.85087421 1.0 Tm Tm4 1 0.00000000 0.10476107 0.57828897 1.0 Tm Tm5 1 0.00000000 0.89523893 0.42171103 1.0 Tm Tm6 1 0.00000000 0.60476107 0.92171103 1.0 Tm Tm7 1 0.00000000 0.39523893 0.07828897 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 0.25889669 0.17306586 1.0 I I11 1 0.50000000 0.74110331 0.82693414 1.0 I I12 1 0.50000000 0.75889669 0.32693414 1.0 I I13 1 0.50000000 0.24110331 0.67306586 1.0 I I14 1 0.00000000 0.25880308 0.42312413 1.0 I I15 1 0.00000000 0.74119692 0.57687587 1.0 I I16 1 0.00000000 0.75880308 0.07687587 1.0 I I17 1 0.00000000 0.24119692 0.92312413 1.0 I I18 1 0.00000000 0.01015379 0.23691772 1.0 I I19 1 0.00000000 0.98984621 0.76308228 1.0 I I20 1 0.00000000 0.51015379 0.26308228 1.0 I I21 1 0.00000000 0.48984621 0.73691772 1.0