data_[Tb8Fe20C16]
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 [Fmmm]
_cell_length_a [4.9795]
_cell_length_b [9.2787]
_cell_length_c [10.2804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tb2Fe5C4]
_chemical_formula_sum '[Tb8 Fe20 C16]'
_cell_volume [474.9871]
_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  8  0.0000  0.0000  0.1471  1
  Fe  Fe1  8  0.2500  0.2500  0.0000  1
  Fe  Fe2  8  0.2500  0.2500  0.2500  1
  Fe  Fe3  4  0.0000  0.0000  0.5000  1
  C  C4  16  0.0000  0.1614  0.3692  1
]