data_[Th14Sb4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.1310]
_cell_length_b [11.1283]
_cell_length_c [6.9770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Th7(SbAu)2]
_chemical_formula_sum '[Th14 Sb4 Au4]'
_cell_volume [708.9575]
_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  0.2500  0.2500  0.2782  1
  Th  Th1  4  0.0000  0.5000  0.2603  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  4  0.1814  0.0000  0.5000  1
  Au  Au4  4  0.0000  0.2672  0.0000  1
]