data_[Pr3Er6Al3Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9178]
_cell_length_b [4.9178]
_cell_length_c [25.7935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrEr2AlAu4]
_chemical_formula_sum '[Pr3 Er6 Al3 Au12]'
_cell_volume [540.2401]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.0000  1
  Er  Er1  6  0.0000  0.0000  0.2385  1
  Al  Al2  3  -0.0000  -0.0000  0.5000  1
  Au  Au3  6  0.0000  0.0000  0.1230  1
  Au  Au4  6  0.0000  0.0000  0.3939  1
]