data_[Pm3Dy9Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Dy  1.2200  1.7500  1.1310
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1156]
_cell_length_b [5.1156]
_cell_length_c [25.2348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PmDy3Au4]
_chemical_formula_sum '[Pm3 Dy9 Au12]'
_cell_volume [571.9046]
_cell_formula_units_Z [3]
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
[
  Pm  Pm0  3  0.0000  0.0000  0.0000  1
  Dy  Dy1  6  0.0000  0.0000  0.7507  1
  Dy  Dy2  3  -0.0000  -0.0000  0.5000  1
  Au  Au3  6  0.0000  0.0000  0.1272  1
  Au  Au4  6  0.0000  0.0000  0.3785  1
]