# generated using pymatgen data_Tm4BI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05978561 _cell_length_b 13.71753987 _cell_length_c 14.13564720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4BI6 _chemical_formula_sum 'Tm8 B2 I12' _cell_volume 787.21802203 _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 0.00000000 0.09419902 0.07652464 1.0 Tm Tm1 1 0.00000000 0.90580098 0.92347536 1.0 Tm Tm2 1 0.00000000 0.59419902 0.42347536 1.0 Tm Tm3 1 0.00000000 0.40580098 0.57652464 1.0 Tm Tm4 1 0.50000000 0.11736223 0.86406049 1.0 Tm Tm5 1 0.50000000 0.88263777 0.13593951 1.0 Tm Tm6 1 0.50000000 0.61736223 0.63593951 1.0 Tm Tm7 1 0.50000000 0.38263777 0.36406049 1.0 B B8 1 0.50000000 0.00000000 0.00000000 1.0 B B9 1 0.50000000 0.50000000 0.50000000 1.0 I I10 1 0.50000000 0.27121055 0.68379431 1.0 I I11 1 0.50000000 0.72878945 0.31620569 1.0 I I12 1 0.50000000 0.77121055 0.81620569 1.0 I I13 1 0.50000000 0.22878945 0.18379431 1.0 I I14 1 0.00000000 0.26491714 0.93463927 1.0 I I15 1 0.00000000 0.73508286 0.06536073 1.0 I I16 1 0.00000000 0.48037451 0.23519207 1.0 I I17 1 0.00000000 0.51962549 0.76480793 1.0 I I18 1 0.00000000 0.98037451 0.26480793 1.0 I I19 1 0.00000000 0.01962549 0.73519207 1.0 I I20 1 0.00000000 0.23508286 0.43463927 1.0 I I21 1 0.00000000 0.76491714 0.56536073 1.0