data_[Tb1C1O5]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4258]
_cell_length_b [4.5044]
_cell_length_c [4.5693]
_cell_angle_alpha [105.0225]
_cell_angle_beta [116.5613]
_cell_angle_gamma [93.5793]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TbCO5]
_chemical_formula_sum '[Tb1 C1 O5]'
_cell_volume [76.9965]
_cell_formula_units_Z [1]
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  1  0.1565  0.1299  0.1499  1
  C  C1  1  0.6662  0.4781  0.9321  1
  O  O2  1  0.4071  0.5175  0.6836  1
  O  O3  1  0.6423  0.3091  0.1174  1
  O  O4  1  0.6830  0.9758  0.5471  1
  O  O5  1  0.9832  0.5915  0.0104  1
  O  O6  1  0.9924  0.9980  0.5595  1
]