data_[Pr6Zn36Cu9Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8243]
_cell_length_b [5.8243]
_cell_length_c [33.2213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Zn12Cu3Ir]
_chemical_formula_sum '[Pr6 Zn36 Cu9 Ir3]'
_cell_volume [975.9747]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3580  1
  Zn  Zn1  18  0.0051  0.5025  0.6076  1
  Zn  Zn2  18  0.0356  0.5178  0.1154  1
  Cu  Cu3  9  0.0000  0.5000  0.5000  1
  Ir  Ir4  3  0.0000  0.0000  0.0000  1
]