# generated using pymatgen data_Tb3SiBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.02343780 _cell_length_b 10.02372117 _cell_length_c 10.02331155 _cell_angle_alpha 109.47088627 _cell_angle_beta 109.47022212 _cell_angle_gamma 109.47244192 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3SiBr3 _chemical_formula_sum 'Tb12 Si4 Br12' _cell_volume 775.23900239 _cell_formula_units_Z 4 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 Tb Tb0 1 0.26183896 0.01183481 0.02367270 1.0 Tb Tb1 1 0.02367614 0.26184035 0.01183412 1.0 Tb Tb2 1 0.48816031 0.74999898 0.01183553 1.0 Tb Tb3 1 0.74999878 0.23815692 0.26183751 1.0 Tb Tb4 1 0.01183595 0.02367412 0.26183761 1.0 Tb Tb5 1 0.01183506 0.48815690 0.74999867 1.0 Tb Tb6 1 0.23815891 0.26184304 0.74999763 1.0 Tb Tb7 1 0.26183764 0.75000367 0.23816439 1.0 Tb Tb8 1 0.23816073 0.47632261 0.48816874 1.0 Tb Tb9 1 0.47633201 0.48816429 0.23816455 1.0 Tb Tb10 1 0.75000443 0.01184593 0.48816971 1.0 Tb Tb11 1 0.48816221 0.23815711 0.47632206 1.0 Si Si12 1 -0.00000031 0.25000263 0.50000898 1.0 Si Si13 1 0.25000007 0.50000305 -0.00000371 1.0 Si Si14 1 0.49999259 -0.00000005 0.24999791 1.0 Si Si15 1 0.25000911 0.24999363 0.24999712 1.0 Br Br16 1 0.75647865 0.74356064 0.25001173 1.0 Br Br17 1 0.50646002 0.25000988 0.99354106 1.0 Br Br18 1 0.24998378 0.99355993 0.50645951 1.0 Br Br19 1 0.51289572 0.50644687 0.75643828 1.0 Br Br20 1 0.99353000 0.98709163 0.74351896 1.0 Br Br21 1 0.74356774 0.99355735 0.98709520 1.0 Br Br22 1 0.50645388 0.75644290 0.51292123 1.0 Br Br23 1 0.75647549 0.51290816 0.50646177 1.0 Br Br24 1 0.99354030 0.50644363 0.25001427 1.0 Br Br25 1 0.98707581 0.74354566 0.99354524 1.0 Br Br26 1 0.24998439 0.75643283 0.74352130 1.0 Br Br27 1 0.74355461 0.25000151 0.75646792 1.0