data_[Tb8Ho20In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.5518]
_cell_length_b [15.1014]
_cell_length_c [6.5619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tb2Ho5In3]
_chemical_formula_sum '[Tb8 Ho20 In12]'
_cell_volume [1243.8122]
_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  8  0.1490  0.2995  0.5000  1
  Ho  Ho1  8  0.0763  0.1603  0.0000  1
  Ho  Ho2  8  0.2415  0.0000  0.2500  1
  Ho  Ho3  4  0.0000  0.5000  0.2500  1
  In  In4  8  0.1365  0.3522  0.0000  1
  In  In5  4  0.0000  0.0000  0.2500  1
]