data_[Pr16Pd2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4841]
_cell_length_b [5.1782]
_cell_length_c [7.1541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8PdAu2]
_chemical_formula_sum '[Pr16 Pd2 Au4]'
_cell_volume [671.9516]
_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
[
  Pr  Pr0  4  0.0260  0.0000  0.7770  1.0
  Pr  Pr1  4  0.0886  0.5000  0.4524  1.0
  Pr  Pr2  4  0.1618  0.5000  0.9746  1.0
  Pr  Pr3  4  0.2014  0.0000  0.3337  1.0
  Pd  Pd4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1899  0.0000  0.7464  1.0
]