data_[Pr6In18Ir12]
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/m]
_cell_length_a [18.3387]
_cell_length_b [4.2961]
_cell_length_c [10.9033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrIn3Ir2]
_chemical_formula_sum '[Pr6 In18 Ir12]'
_cell_volume [808.2861]
_cell_formula_units_Z [6]
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  0.1645  0.0000  0.6973  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0379  0.0000  0.3385  1
  In  In3  4  0.1285  0.5000  0.1967  1
  In  In4  4  0.1727  0.5000  0.9557  1
  In  In5  4  0.2164  0.0000  0.3957  1
  In  In6  2  0.0000  0.5000  0.5000  1
  Ir  Ir7  4  0.0227  0.5000  0.8047  1
  Ir  Ir8  4  0.1335  0.5000  0.4539  1
  Ir  Ir9  4  0.2062  0.0000  0.1369  1
]