data_[Th3Zn6Ag2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3447]
_cell_length_b [5.3447]
_cell_length_c [10.2732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Th3Zn6Ag2Au]
_chemical_formula_sum '[Th3 Zn6 Ag2 Au1]'
_cell_volume [254.1423]
_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
[
  Th  Th0  2  0.3333  0.6667  0.5622  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  6  0.1697  0.3393  0.2637  1
  Ag  Ag3  2  0.3333  0.6667  0.8724  1
  Au  Au4  1  0.0000  0.0000  0.5000  1
]