data_[Tb2C2Br2N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3857]
_cell_length_b [3.7941]
_cell_length_c [7.6295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbCBrN2]
_chemical_formula_sum '[Tb2 C2 Br2 N4]'
_cell_volume [154.4591]
_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  2  0.1587  0.7500  0.7223  1.0
  C  C1  2  0.3539  0.7500  0.3613  1.0
  Br  Br2  2  0.2527  0.2500  0.0361  1.0
  N  N3  2  0.1287  0.7500  0.3863  1.0
  N  N4  2  0.4256  0.2500  0.6589  1.0
]