data_[Pr24Os3Pd9I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Os  2.2000  1.3000  0.6730
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5730]
_cell_length_b [8.5730]
_cell_length_c [24.5562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8OsPd3I4]
_chemical_formula_sum '[Pr24 Os3 Pd9 I12]'
_cell_volume [1562.9798]
_cell_formula_units_Z [3]
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  18  0.0127  0.5063  0.2294  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2287  1.0
  Pd  Pd2  9  0.0000  0.5000  0.5000  1.0
  Os  Os3  3  -0.0000  -0.0000  0.5000  1.0
  I  I4  9  0.0000  0.5000  0.0000  1.0
  I  I5  3  0.0000  0.0000  0.0000  1.0
]