data_[Tm2S4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3327]
_cell_length_b [7.6106]
_cell_length_c [7.9697]
_cell_angle_alpha [114.3196]
_cell_angle_beta [90.1490]
_cell_angle_gamma [118.7268]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm(SBr)2]
_chemical_formula_sum '[Tm2 S4 Br4]'
_cell_volume [344.0308]
_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  2  0.1669  0.3347  0.9999  1.0
  S  S1  2  0.0461  0.1372  0.2434  1.0
  S  S2  2  0.2104  0.9685  0.9442  1.0
  Br  Br3  2  0.1230  0.6852  0.2543  1.0
  Br  Br4  2  0.4194  0.3991  0.7461  1.0
]