data_[Pr16Sn4Ir4]
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 [9.1057]
_cell_length_b [14.1951]
_cell_length_c [6.2001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4SnIr]
_chemical_formula_sum '[Pr16 Sn4 Ir4]'
_cell_volume [733.7092]
_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  0.1141  0.1792  0.0709  1.0
  Pr  Pr1  8  0.2183  0.4295  0.3416  1.0
  Sn  Sn2  4  0.0000  0.3752  0.7500  1.0
  Ir  Ir3  4  0.0000  0.0010  0.7500  1.0
]