data_[Tm8C4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8620]
_cell_length_b [3.8378]
_cell_length_c [12.2599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2CBr3]
_chemical_formula_sum '[Tm8 C4 Br12]'
_cell_volume [705.8290]
_cell_formula_units_Z [4]
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  0.0724  0.5000  0.7205  1
  Tm  Tm1  4  0.1248  0.0000  0.5050  1
  C  C2  4  0.0380  0.5000  0.4896  1
  Br  Br3  4  0.0431  0.0000  0.8577  1
  Br  Br4  4  0.1654  0.5000  0.3647  1
  Br  Br5  4  0.2070  0.0000  0.7759  1
]