data_[Pr8Ni4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6443]
_cell_length_b [5.6070]
_cell_length_c [8.1022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2NiIr2]
_chemical_formula_sum '[Pr8 Ni4 Ir8]'
_cell_volume [424.6512]
_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  0.1515  0.3711  0.6540  1.0
  Ni  Ni1  4  0.0000  0.1343  0.2500  1.0
  Ir  Ir2  8  0.1281  0.1242  0.0087  1.0
]