data_[Tb2Pd12Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6947]
_cell_length_b [4.2860]
_cell_length_c [9.2952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(Pd2Au)3]
_chemical_formula_sum '[Tb2 Pd12 Au6]'
_cell_volume [344.9599]
_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  0.0667  0.2500  0.3745  1
  Pd  Pd1  2  0.0510  0.7500  0.9109  1
  Pd  Pd2  2  0.1485  0.2500  0.7030  1
  Pd  Pd3  2  0.1608  0.7500  0.2044  1
  Pd  Pd4  2  0.2498  0.7500  0.5097  1
  Pd  Pd5  2  0.3663  0.2500  0.3018  1
  Pd  Pd6  2  0.4549  0.7500  0.1018  1
  Au  Au7  2  0.2517  0.2500  0.0100  1
  Au  Au8  2  0.3424  0.7500  0.8094  1
  Au  Au9  2  0.4479  0.2500  0.6013  1
]