data_[Pr8B16Pt20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.3958]
_cell_length_b [9.9405]
_cell_length_c [12.6301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Pr2B4Pt5]
_chemical_formula_sum '[Pr8 B16 Pt20]'
_cell_volume [677.4378]
_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  0.0000  0.1465  1
  Pr  Pr1  4  0.0000  0.0000  0.8593  1
  B  B2  8  0.0000  0.1424  0.3724  1
  B  B3  8  0.0000  0.1777  0.6254  1
  Pt  Pt4  8  0.2500  0.2500  0.2526  1
  Pt  Pt5  8  0.2500  0.2500  0.4826  1
  Pt  Pt6  4  0.0000  0.0000  0.5343  1
]