data_[Th12Tc2Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1942]
_cell_length_b [7.4410]
_cell_length_c [15.6984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Th6TcAu5]
_chemical_formula_sum '[Th12 Tc2 Au10]'
_cell_volume [606.7456]
_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  0.2386  0.8441  1
  Th  Th1  4  0.0000  0.2661  0.5000  1
  Tc  Tc2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.0000  0.0000  0.3306  1
  Au  Au4  4  0.0000  0.5000  0.3152  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]