data_[Th9Zn21Ag6]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5440]
_cell_length_b [5.5440]
_cell_length_c [26.8636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th3Zn7Ag2]
_chemical_formula_sum '[Th9 Zn21 Ag6]'
_cell_volume [715.0499]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1453  1
  Th  Th1  3  0.0000  0.0000  0.0000  1
  Zn  Zn2  18  0.0074  0.5037  0.9170  1
  Zn  Zn3  3  -0.0000  -0.0000  0.5000  1
  Ag  Ag4  6  0.0000  0.0000  0.3357  1
]