data_[Th12Ag2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1898]
_cell_length_b [7.5720]
_cell_length_c [15.7595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Th6AgAu5]
_chemical_formula_sum '[Th12 Ag2 Au10]'
_cell_volume [619.3057]
_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
[
  Th  Th0  8  0.0000  0.2516  0.1699  1
  Th  Th1  4  0.0000  0.2453  0.5000  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0000  0.0000  0.3349  1
  Au  Au4  4  0.0000  0.5000  0.3409  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]