data_[Tb8C4Br10]
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 [Immm]
_cell_length_a [3.8008]
_cell_length_b [7.9796]
_cell_length_c [18.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb4C2Br5]
_chemical_formula_sum '[Tb8 C4 Br10]'
_cell_volume [556.4797]
_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  0.0000  0.0000  0.1566  1
  Tb  Tb1  4  0.0000  0.3011  0.5000  1
  C  C2  4  0.0000  0.0000  0.0387  1
  Br  Br3  8  0.0000  0.2282  0.3370  1
  Br  Br4  2  0.0000  0.5000  0.0000  1
]