data_[Tb36Sn18C3]
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 [R-3]
_cell_length_a [11.9211]
_cell_length_b [11.9211]
_cell_length_c [13.7996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12Sn6C]
_chemical_formula_sum '[Tb36 Sn18 C3]'
_cell_volume [1698.3571]
_cell_formula_units_Z [3]
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  18  0.0288  0.1880  0.3875  1
  Tb  Tb1  18  0.0311  0.8493  0.8944  1
  Sn  Sn2  18  0.0036  0.3854  0.2488  1
  C  C3  3  0.0000  0.0000  0.0000  1
]