data_[Th4Pt8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6704]
_cell_length_b [10.1819]
_cell_length_c [7.3635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ThPt2Au3]
_chemical_formula_sum '[Th4 Pt8 Au12]'
_cell_volume [499.8420]
_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  0.0000  0.0750  0.2500  1
  Pt  Pt1  8  0.2421  0.3839  0.0335  1
  Au  Au2  8  0.1686  0.3655  0.4123  1
  Au  Au3  4  0.0000  0.2699  0.7500  1
]