data_[Tm8B4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.7972]
_cell_length_b [7.8653]
_cell_length_c [21.0277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm4B2Br5]
_chemical_formula_sum '[Tm8 B4 Br10]'
_cell_volume [628.0209]
_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  4  0.0000  0.0000  0.3547  1
  Tm  Tm1  4  0.0000  0.3017  0.0000  1
  B  B2  4  0.0000  0.0000  0.4623  1
  Br  Br3  8  0.0000  0.2432  0.1612  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
]