data_[Pr6Cd6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.9597]
_cell_length_b [4.0678]
_cell_length_c [8.0405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrCdAu]
_chemical_formula_sum '[Pr6 Cd6 Au6]'
_cell_volume [456.5790]
_cell_formula_units_Z [6]
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  4  0.0486  0.0000  0.7608  1.0
  Pr  Pr1  2  0.2500  0.0000  0.1590  1.0
  Cd  Cd2  4  0.1132  0.5000  0.4331  1.0
  Cd  Cd3  2  0.2500  0.5000  0.8118  1.0
  Au  Au4  4  0.0951  0.5000  0.0621  1.0
  Au  Au5  2  0.2500  0.0000  0.5552  1.0
]