# generated using pymatgen data_Tm4BBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88000651 _cell_length_b 12.88819126 _cell_length_c 13.29944392 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4BBr6 _chemical_formula_sum 'Tm8 B2 Br12' _cell_volume 665.05552993 _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 0.10094085 0.08089124 1.0 Tm Tm1 1 0.00000000 0.89905915 0.91910876 1.0 Tm Tm2 1 0.00000000 0.60094085 0.41910876 1.0 Tm Tm3 1 0.00000000 0.39905915 0.58089124 1.0 Tm Tm4 1 0.50000000 0.12276029 0.85597228 1.0 Tm Tm5 1 0.50000000 0.87723971 0.14402772 1.0 Tm Tm6 1 0.50000000 0.62276029 0.64402772 1.0 Tm Tm7 1 0.50000000 0.37723971 0.35597228 1.0 B B8 1 0.50000000 0.00000000 0.00000000 1.0 B B9 1 0.50000000 0.50000000 0.50000000 1.0 Br Br10 1 0.50000000 0.26808620 0.68356493 1.0 Br Br11 1 0.50000000 0.73191380 0.31643507 1.0 Br Br12 1 0.50000000 0.76808620 0.81643507 1.0 Br Br13 1 0.50000000 0.23191380 0.18356493 1.0 Br Br14 1 0.00000000 0.26234404 0.93178358 1.0 Br Br15 1 0.00000000 0.73765596 0.06821642 1.0 Br Br16 1 0.00000000 0.48043680 0.23725997 1.0 Br Br17 1 0.00000000 0.51956320 0.76274003 1.0 Br Br18 1 0.00000000 0.98043680 0.26274003 1.0 Br Br19 1 0.00000000 0.01956320 0.73725997 1.0 Br Br20 1 0.00000000 0.23765596 0.43178358 1.0 Br Br21 1 0.00000000 0.76234404 0.56821642 1.0