data_[Dy1Cu8Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9871]
_cell_length_b [4.9871]
_cell_length_c [8.0895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [DyCu8Au3]
_chemical_formula_sum '[Dy1 Cu8 Au3]'
_cell_volume [174.2375]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4372  1.0
  Cu  Cu1  3  0.1653  0.3306  0.7559  1.0
  Cu  Cu2  3  0.5024  0.0049  0.2434  1.0
  Cu  Cu3  1  0.3333  0.6667  0.0024  1.0
  Cu  Cu4  1  0.3333  0.6667  0.5017  1.0
  Au  Au5  1  0.0000  0.0000  0.0614  1.0
  Au  Au6  1  0.6667  0.3333  0.5631  1.0
  Au  Au7  1  0.6667  0.3333  0.9363  1.0
]