data_[Tb1Zn6Au4]
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 [P-6m2]
_cell_length_a [7.3452]
_cell_length_b [7.3452]
_cell_length_c [4.2711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tb(Zn3Au2)2]
_chemical_formula_sum '[Tb1 Zn6 Au4]'
_cell_volume [199.5592]
_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  0.0000  1.0
  Zn  Zn1  3  0.0809  0.5404  0.0000  1.0
  Zn  Zn2  3  0.4133  0.2066  0.5000  1.0
  Au  Au3  3  0.1949  0.3898  0.5000  1.0
  Au  Au4  1  0.6667  0.3333  0.0000  1.0
]