data_[Tb8Pu2Sc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [10.1246]
_cell_length_b [10.1246]
_cell_length_c [5.5198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Tb4PuSc5]
_chemical_formula_sum '[Tb8 Pu2 Sc10]'
_cell_volume [565.8251]
_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  8  0.0000  0.3154  0.5450  1
  Pu  Pu1  2  0.0000  0.0000  0.8165  1
  Sc  Sc2  8  0.1842  0.1842  0.0434  1
  Sc  Sc3  2  0.0000  0.0000  0.3403  1
]