data_[Tb20In8Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.4397]
_cell_length_b [7.5087]
_cell_length_c [7.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb5(InRu)2]
_chemical_formula_sum '[Tb20 In8 Ru8]'
_cell_volume [938.6787]
_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  16  0.1171  0.1748  0.3261  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  In  In2  8  0.2221  0.0000  0.0000  1.0
  Ru  Ru3  8  0.0000  0.1241  0.6289  1.0
]