data_[Pr9Ni3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4053]
_cell_length_b [5.4053]
_cell_length_c [26.4628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3NiIr8]
_chemical_formula_sum '[Pr9 Ni3 Ir24]'
_cell_volume [669.5877]
_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  0.3775  1
  Pr  Pr1  3  0.0000  0.0000  0.5072  1
  Pr  Pr2  3  0.0000  0.0000  0.9912  1
  Ni  Ni3  3  0.0000  0.0000  0.8525  1
  Ir  Ir4  9  0.1673  0.3346  0.7746  1
  Ir  Ir5  9  0.1674  0.3349  0.2721  1
  Ir  Ir6  3  0.0000  0.0000  0.1916  1
  Ir  Ir7  3  0.0000  0.0000  0.6900  1
]