data_[Pr12Pd4Au2Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4582]
_cell_length_b [12.7776]
_cell_length_c [8.1437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Pd2AuBr3]
_chemical_formula_sum '[Pr12 Pd4 Au2 Br6]'
_cell_volume [737.6738]
_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  8  0.2388  0.1709  0.2058  1.0
  Pr  Pr1  4  0.2262  0.5000  0.2044  1.0
  Pd  Pd2  4  0.0000  0.3331  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1659  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]