data_[Th8Os4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8988]
_cell_length_b [4.0932]
_cell_length_c [9.0696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2OsAu]
_chemical_formula_sum '[Th8 Os4 Au4]'
_cell_volume [447.5580]
_cell_formula_units_Z [4]
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  0.0578  0.0000  0.2901  1
  Th  Th1  4  0.2398  0.0000  0.7840  1
  Os  Os2  4  0.1961  0.5000  0.5427  1
  Au  Au3  2  0.0000  0.5000  0.0000  1
  Au  Au4  2  0.0000  0.5000  0.5000  1
]