data_[Pr6Ir2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8685]
_cell_length_b [6.9437]
_cell_length_c [8.1927]
_cell_angle_alpha [71.1628]
_cell_angle_beta [82.1588]
_cell_angle_gamma [65.3713]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr3IrAu]
_chemical_formula_sum '[Pr6 Ir2 Au2]'
_cell_volume [287.2224]
_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  0.1209  0.0349  0.7699  1.0
  Pr  Pr1  2  0.1724  0.2892  0.3246  1.0
  Pr  Pr2  2  0.4585  0.3518  0.8543  1.0
  Ir  Ir3  2  0.0703  0.6656  0.0223  1.0
  Au  Au4  2  0.3469  0.7513  0.4972  1.0
]