data_[Tb2Zn5Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5559]
_cell_length_b [5.2922]
_cell_length_c [9.4108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Tb2(ZnAu)5]
_chemical_formula_sum '[Tb2 Zn5 Au5]'
_cell_volume [226.8992]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Tb  Tb1  1  0.0000  0.5000  0.0000  1.0
  Zn  Zn2  4  0.5000  0.2516  0.2529  1.0
  Zn  Zn3  1  0.5000  0.5000  0.5000  1.0
  Au  Au4  2  0.0000  0.0000  0.1795  1.0
  Au  Au5  2  0.0000  0.5000  0.3341  1.0
  Au  Au6  1  0.5000  0.0000  0.0000  1.0
]