data_[Tb12Sn6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3800]
_cell_length_b [8.2573]
_cell_length_c [11.9303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb6Sn3C]
_chemical_formula_sum '[Tb12 Sn6 C2]'
_cell_volume [546.3869]
_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  0.0954  0.0481  0.2263  1
  Tb  Tb1  4  0.1761  0.7204  0.0565  1
  Tb  Tb2  4  0.3817  0.1485  0.0511  1
  Sn  Sn3  4  0.3240  0.1059  0.7363  1
  Sn  Sn4  2  0.5000  0.0000  0.5000  1
  C  C5  2  0.0000  0.0000  0.0000  1
]