data_[Tb12H2C4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  H  2.2000  0.2500  0.0000
  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 [6.4316]
_cell_length_b [11.1135]
_cell_length_c [7.4552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6HC2Br3]
_chemical_formula_sum '[Tb12 H2 C4 Br6]'
_cell_volume [509.9096]
_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
[
  Tb  Tb0  8  0.2349  0.1743  0.1830  1
  Tb  Tb1  4  0.2115  0.5000  0.1848  1
  H  H2  2  0.0000  0.0000  0.0000  1
  C  C3  4  0.0000  0.3342  0.0000  1
  Br  Br4  4  0.0000  0.1679  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]