data_[Th10Pt2Au4]
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 [Pbam]
_cell_length_a [8.6083]
_cell_length_b [11.9850]
_cell_length_c [4.4160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Th5PtAu2]
_chemical_formula_sum '[Th10 Pt2 Au4]'
_cell_volume [455.5977]
_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  4  0.1464  0.7863  0.0000  1
  Th  Th1  4  0.1900  0.0797  0.5000  1
  Th  Th2  2  0.0000  0.5000  0.0000  1
  Pt  Pt3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.0818  0.3272  0.5000  1
]