data_[Tb12Pr8Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.1412]
_cell_length_b [17.7653]
_cell_length_c [7.6333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb3(PrAu2)2]
_chemical_formula_sum '[Tb12 Pr8 Au16]'
_cell_volume [968.4061]
_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  0.2500  0.2361  0.7500  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Pr  Pr2  8  0.0000  0.0965  0.4217  1
  Au  Au3  8  0.0000  0.1692  0.0297  1
  Au  Au4  8  0.2500  0.0660  0.7500  1
]