data_[Tb36In18Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.2641]
_cell_length_b [14.2641]
_cell_length_c [9.7823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb12In6Sn]
_chemical_formula_sum '[Tb36 In18 Sn3]'
_cell_volume [1723.7043]
_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  0.0529  0.8052  0.9150  1
  Tb  Tb1  18  0.0547  0.8539  0.2683  1
  In  In2  18  0.0646  0.8213  0.5848  1
  Sn  Sn3  3  0.0000  0.0000  0.0000  1
]