data_[Pr20Ir8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.9167]
_cell_length_b [6.7506]
_cell_length_c [7.4088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Ir2]
_chemical_formula_sum '[Pr20 Ir8]'
_cell_volume [839.4574]
_cell_formula_units_Z [4]
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  0.0931  0.1080  0.9195  1.0
  Pr  Pr1  8  0.2169  0.4304  0.3157  1.0
  Pr  Pr2  4  0.0000  0.4320  0.2500  1.0
  Ir  Ir3  8  0.1115  0.2928  0.5758  1.0
]