data_[Tb3H9C9O18]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.5111]
_cell_length_b [10.5111]
_cell_length_c [4.0008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbH3(CO2)3]
_chemical_formula_sum '[Tb3 H9 C9 O18]'
_cell_volume [382.8027]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9970  1.0
  H  H1  9  0.1718  0.3436  0.1903  1.0
  C  C2  9  0.0259  0.5129  0.1201  1.0
  O  O3  9  0.0843  0.1686  0.5046  1.0
  O  O4  9  0.2018  0.4036  0.6817  1.0
]