data_[Pr4Si8Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2678]
_cell_length_b [9.8167]
_cell_length_c [5.6404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [PrSi2Ir3]
_chemical_formula_sum '[Pr4 Si8 Ir12]'
_cell_volume [402.4229]
_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  4  0.0000  0.2500  0.7207  1.0
  Si  Si1  8  0.0000  0.0793  0.2013  1.0
  Ir  Ir2  8  0.2192  0.5000  0.5000  1.0
  Ir  Ir3  4  0.2500  0.2500  0.2500  1.0
]