data_[Tb12H2C4Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9525]
_cell_length_b [3.8221]
_cell_length_c [7.9189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6HC2Se3]
_chemical_formula_sum '[Tb12 H2 C4 Se6]'
_cell_volume [494.2695]
_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  0.0162  0.0000  0.2532  1.0
  Tb  Tb1  4  0.1646  0.5000  0.1198  1.0
  Tb  Tb2  4  0.1770  0.5000  0.5588  1.0
  H  H3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.1632  0.0000  0.8348  1.0
  C  C5  4  0.1653  0.0000  0.3318  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]