# generated using pymatgen data_Tb8GaBBr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97944082 _cell_length_b 13.30123451 _cell_length_c 13.89012501 _cell_angle_alpha 90.56996762 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb8GaBBr12 _chemical_formula_sum 'Tb8 Ga1 B1 Br12' _cell_volume 735.18843380 _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 Tb Tb0 1 0.50000000 0.11345079 0.35483519 1.0 Tb Tb1 1 0.50000000 0.88654921 0.64516481 1.0 Tb Tb2 1 0.50000000 0.62673625 0.16109997 1.0 Tb Tb3 1 0.50000000 0.37326375 0.83890003 1.0 Tb Tb4 1 0.00000000 0.10354374 0.57463148 1.0 Tb Tb5 1 0.00000000 0.89645626 0.42536852 1.0 Tb Tb6 1 0.00000000 0.62165868 0.91248938 1.0 Tb Tb7 1 0.00000000 0.37834132 0.08751062 1.0 Ga Ga8 1 0.50000000 0.50000000 0.00000000 1.0 B B9 1 0.50000000 0.00000000 0.50000000 1.0 Br Br10 1 0.50000000 0.24952502 0.17611715 1.0 Br Br11 1 0.50000000 0.75047498 0.82388285 1.0 Br Br12 1 0.50000000 0.75942116 0.33004555 1.0 Br Br13 1 0.50000000 0.24057884 0.66995445 1.0 Br Br14 1 0.00000000 0.25525167 0.42260116 1.0 Br Br15 1 0.00000000 0.74474833 0.57739884 1.0 Br Br16 1 0.00000000 0.76001482 0.08194114 1.0 Br Br17 1 0.00000000 0.23998518 0.91805886 1.0 Br Br18 1 0.00000000 0.00585561 0.24308301 1.0 Br Br19 1 0.00000000 0.99414439 0.75691699 1.0 Br Br20 1 0.00000000 0.51024503 0.26193271 1.0 Br Br21 1 0.00000000 0.48975497 0.73806729 1.0