data_[Pr9Zn3Ir24]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4122]
_cell_length_b [5.4122]
_cell_length_c [26.3753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3ZnIr8]
_chemical_formula_sum '[Pr9 Zn3 Ir24]'
_cell_volume [669.0829]
_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  3  0.0000  0.0000  0.0062  1.0
  Pr  Pr1  3  0.0000  0.0000  0.4955  1.0
  Pr  Pr2  3  0.0000  0.0000  0.6237  1.0
  Zn  Zn3  3  0.0000  0.0000  0.1342  1.0
  Ir  Ir4  9  0.0011  0.5006  0.0628  1.0
  Ir  Ir5  9  0.1673  0.3346  0.8935  1.0
  Ir  Ir6  3  0.0000  0.0000  0.3110  1.0
  Ir  Ir7  3  0.0000  0.0000  0.8106  1.0
]