data_[Pr16In4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0302]
_cell_length_b [13.8879]
_cell_length_c [6.2176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4InIr]
_chemical_formula_sum '[Pr16 In4 Ir4]'
_cell_volume [737.9456]
_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  0.1122  0.1754  0.0557  1.0
  Pr  Pr1  8  0.2190  0.4246  0.3814  1.0
  In  In2  4  0.0000  0.3782  0.7500  1.0
  Ir  Ir3  4  0.0000  0.0016  0.7500  1.0
]