data_[Tb4C2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [6.5695]
_cell_length_b [3.7917]
_cell_length_c [11.0268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2CBr2]
_chemical_formula_sum '[Tb4 C2 Br4]'
_cell_volume [272.7793]
_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  4  0.1909  0.0000  0.6230  1.0
  C  C1  2  0.0000  0.5000  0.5000  1.0
  Br  Br2  4  0.1075  0.0000  0.1997  1.0
]