data_[Pr8Al12Pt16]
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 [Cmce]
_cell_length_a [5.7010]
_cell_length_b [15.7590]
_cell_length_c [7.6418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr2Al3Pt4]
_chemical_formula_sum '[Pr8 Al12 Pt16]'
_cell_volume [686.5603]
_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  0.0000  0.1073  0.5919  1.0
  Al  Al1  8  0.2500  0.2271  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.0000  1.0
  Pt  Pt3  8  0.0000  0.1848  0.9745  1.0
  Pt  Pt4  8  0.2500  0.0621  0.2500  1.0
]