data_[Pr16Ag4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3698]
_cell_length_b [5.2626]
_cell_length_c [7.1299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Ag2Ir]
_chemical_formula_sum '[Pr16 Ag4 Ir2]'
_cell_volume [675.4137]
_cell_formula_units_Z [2]
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  4  0.0242  0.0000  0.7836  1.0
  Pr  Pr1  4  0.0875  0.5000  0.4368  1.0
  Pr  Pr2  4  0.1558  0.5000  0.9710  1.0
  Pr  Pr3  4  0.2037  0.0000  0.3250  1.0
  Ag  Ag4  4  0.1902  0.0000  0.7400  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]