data_[Tb4Fe4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.2245]
_cell_length_b [5.2204]
_cell_length_c [7.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TbFeC2]
_chemical_formula_sum '[Tb4 Fe4 C8]'
_cell_volume [197.2307]
_cell_formula_units_Z [4]
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  0.0029  0.0683  0.9958  1.0
  Fe  Fe1  4  0.0554  0.4338  0.6949  1.0
  C  C2  4  0.3260  0.1869  0.7744  1.0
  C  C3  4  0.4823  0.0730  0.9318  1.0
]