data_[Tm1Tl1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7998]
_cell_length_b [7.2541]
_cell_length_c [9.2045]
_cell_angle_alpha [86.9623]
_cell_angle_beta [88.5030]
_cell_angle_gamma [88.2451]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmTl(SnBr4)2]
_chemical_formula_sum '[Tm1 Tl1 Sn2 Br8]'
_cell_volume [453.0401]
_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
[
  Tm  Tm0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.4903  0.4860  0.7506  1.0
  Br  Br3  2  0.2314  0.3158  0.9780  1.0
  Br  Br4  2  0.2318  0.8362  0.7877  1.0
  Br  Br5  2  0.2489  0.8557  0.2165  1.0
  Br  Br6  2  0.2725  0.3660  0.5271  1.0
]