data_[Pr24Sn8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.6431]
_cell_length_b [9.5469]
_cell_length_c [6.6731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3SnIr]
_chemical_formula_sum '[Pr24 Sn8 Ir8]'
_cell_volume [1158.7839]
_cell_formula_units_Z [8]
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  0.0358  0.2482  0.5271  1
  Pr  Pr1  8  0.1391  0.4059  0.1459  1
  Pr  Pr2  8  0.1586  0.0342  0.9625  1
  Sn  Sn3  8  0.2142  0.2945  0.6827  1
  Ir  Ir4  4  0.0000  0.0023  0.2500  1
  Ir  Ir5  4  0.0000  0.4999  0.7500  1
]