data_[Pr16Be8Pt24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.0058]
_cell_length_b [8.5508]
_cell_length_c [14.9912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr2BePt3]
_chemical_formula_sum '[Pr16 Be8 Pt24]'
_cell_volume [1026.2337]
_cell_formula_units_Z [8]
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  0.2499  0.0000  0.0000  1
  Pr  Pr1  8  0.2500  0.2500  0.2500  1
  Be  Be2  8  0.0000  0.0000  0.3317  1
  Pt  Pt3  16  0.0000  0.2234  0.4091  1
  Pt  Pt4  8  0.0000  0.0000  0.1822  1
]