data_[Pr8Zn4Ir8]
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 [C2/c]
_cell_length_a [10.1376]
_cell_length_b [5.6345]
_cell_length_c [8.0909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2ZnIr2]
_chemical_formula_sum '[Pr8 Zn4 Ir8]'
_cell_volume [445.1140]
_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  0.1456  0.3494  0.1470  1.0
  Zn  Zn1  4  0.0000  0.1264  0.7500  1.0
  Ir  Ir2  8  0.1373  0.1484  0.5149  1.0
]