data_[Th4Fe2Ag2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9549]
_cell_length_b [3.9869]
_cell_length_c [8.0860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th2FeAgAu]
_chemical_formula_sum '[Th4 Fe2 Ag2 Au2]'
_cell_volume [232.9649]
_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  0.1264  0.7500  0.3532  1
  Th  Th1  2  0.2956  0.7500  0.9898  1
  Fe  Fe2  2  0.0642  0.2500  0.0713  1
  Ag  Ag3  2  0.3006  0.2500  0.6794  1
  Au  Au4  2  0.4321  0.2500  0.3385  1
]