data_[Tb2C2N6]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.4425]
_cell_length_b [5.1177]
_cell_length_c [6.0918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbCN3]
_chemical_formula_sum '[Tb2 C2 N6]'
_cell_volume [105.2373]
_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  0.4099  0.7500  0.6790  1.0
  C  C1  2  0.0891  0.2500  0.8010  1.0
  N  N2  4  0.0346  0.0092  0.8882  1.0
  N  N3  2  0.2139  0.2500  0.6009  1.0
]