data_[Tb8H2C2N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9909]
_cell_length_b [4.9909]
_cell_length_c [10.0357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tb4HCN2]
_chemical_formula_sum '[Tb8 H2 C2 N4]'
_cell_volume [249.9849]
_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  0.2384  1.0
  Tb  Tb1  4  0.0000  0.5000  0.0000  1.0
  H  H2  2  0.0000  0.0000  0.5000  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.0000  0.5000  0.2500  1.0
]