data_[Th6Os2Au2]
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 [P2_1/m]
_cell_length_a [8.0106]
_cell_length_b [4.3771]
_cell_length_c [8.0357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th3OsAu]
_chemical_formula_sum '[Th6 Os2 Au2]'
_cell_volume [281.7244]
_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  2  0.1350  0.7500  0.6298  1
  Th  Th1  2  0.1819  0.2500  0.0390  1
  Th  Th2  2  0.4344  0.7500  0.3194  1
  Os  Os3  2  0.0651  0.7500  0.2498  1
  Au  Au4  2  0.4225  0.7500  0.8985  1
]