data_[Pr8Sn20Ir12]
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 [Ibam]
_cell_length_a [11.1174]
_cell_length_b [12.7827]
_cell_length_c [6.4693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Sn5Ir3]
_chemical_formula_sum '[Pr8 Sn20 Ir12]'
_cell_volume [919.3606]
_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  0.2245  0.3554  0.5000  1.0
  Sn  Sn1  8  0.0000  0.2231  0.2500  1.0
  Sn  Sn2  8  0.1670  0.0867  0.5000  1.0
  Sn  Sn3  4  0.0000  0.5000  0.2500  1.0
  Ir  Ir4  8  0.1105  0.3579  0.0000  1.0
  Ir  Ir5  4  0.0000  0.0000  0.2500  1.0
]