data_[Dy2Th2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6759]
_cell_length_b [3.8935]
_cell_length_c [11.1923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [DyThAu2]
_chemical_formula_sum '[Dy2 Th2 Au4]'
_cell_volume [203.7636]
_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
[
  Dy  Dy0  2  0.5000  0.0000  0.5549  1
  Th  Th1  2  0.0000  0.0000  0.2803  1
  Au  Au2  2  0.0000  0.0000  0.0067  1
  Au  Au3  2  0.5000  0.0000  0.8262  1
]