data_[Tb4Sm8In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2662]
_cell_length_b [6.5153]
_cell_length_c [6.5735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbSm2In3]
_chemical_formula_sum '[Tb4 Sm8 In12]'
_cell_volume [676.4961]
_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  4  0.0000  0.1352  0.7500  1.0
  Sm  Sm1  8  0.1717  0.3857  0.0918  1.0
  In  In2  8  0.1607  0.1174  0.5488  1.0
  In  In3  4  0.0000  0.3646  0.2500  1.0
]