data_[Pr8Al36Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3749]
_cell_length_b [7.7026]
_cell_length_c [10.6203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2(Al3Pt)3]
_chemical_formula_sum '[Pr8 Al36 Pt12]'
_cell_volume [993.5326]
_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  0.1688  0.4157  0.7500  1
  Al  Al1  8  0.0602  0.4149  0.4295  1
  Al  Al2  8  0.1010  0.0835  0.5551  1
  Al  Al3  8  0.1020  0.1836  0.2489  1
  Al  Al4  8  0.2254  0.0821  0.9311  1
  Al  Al5  4  0.0000  0.1235  0.7500  1
  Pt  Pt6  8  0.0844  0.2547  0.0003  1
  Pt  Pt7  4  0.2500  0.2500  0.5000  1
]