data_[Tb2Sm10In16]
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 [I-4]
_cell_length_a [9.3353]
_cell_length_b [9.3353]
_cell_length_c [9.2708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [TbSm5In8]
_chemical_formula_sum '[Tb2 Sm10 In16]'
_cell_volume [807.9395]
_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  2  0.0000  0.5000  0.2500  1
  Sm  Sm1  8  0.1225  0.7522  0.8742  1
  Sm  Sm2  2  0.0000  0.0000  0.5000  1
  In  In3  8  0.0824  0.6649  0.5374  1
  In  In4  8  0.0859  0.8300  0.2115  1
]