data_[Pr2Cd4Au4]
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 [Pmmn]
_cell_length_a [3.9643]
_cell_length_b [4.6583]
_cell_length_c [12.8110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pr(CdAu)2]
_chemical_formula_sum '[Pr2 Cd4 Au4]'
_cell_volume [236.5801]
_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  2  0.0000  0.5000  0.2545  1
  Cd  Cd1  2  0.0000  0.0000  0.5137  1
  Cd  Cd2  2  0.0000  0.5000  0.8636  1
  Au  Au3  2  0.0000  0.0000  0.9742  1
  Au  Au4  2  0.0000  0.5000  0.6500  1
]