data_[Th6Ge4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9942]
_cell_length_b [4.6448]
_cell_length_c [8.8170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3(GeAu2)2]
_chemical_formula_sum '[Th6 Ge4 Au8]'
_cell_volume [414.7485]
_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  4  0.1659  0.5000  0.6692  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.1100  0.5000  0.2800  1
  Au  Au3  4  0.0625  0.0000  0.3915  1
  Au  Au4  4  0.2138  0.5000  0.0560  1
]