data_[Tb4Fe34C2]
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 [C2/m]
_cell_length_a [9.6201]
_cell_length_b [8.5929]
_cell_length_c [6.4249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Fe17C]
_chemical_formula_sum '[Tb4 Fe34 C2]'
_cell_volume [524.6793]
_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  0.1606  0.5000  0.3504  1.0
  Fe  Fe1  8  0.0966  0.2466  0.6555  1.0
  Fe  Fe2  8  0.1444  0.1449  0.2900  1.0
  Fe  Fe3  4  0.0000  0.2853  0.0000  1.0
  Fe  Fe4  4  0.0974  0.0000  0.9024  1.0
  Fe  Fe5  4  0.1565  0.5000  0.8497  1.0
  Fe  Fe6  4  0.2500  0.2500  0.0000  1.0
  Fe  Fe7  2  0.0000  0.0000  0.5000  1.0
  C  C8  2  0.0000  0.5000  0.0000  1.0
]