data_[Pr8Pd4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2434]
_cell_length_b [4.2216]
_cell_length_c [11.0470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2PdPt2]
_chemical_formula_sum '[Pr8 Pd4 Pt8]'
_cell_volume [466.7316]
_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  0.0195  0.0000  0.3423  1.0
  Pr  Pr1  4  0.1892  0.0000  0.1080  1.0
  Pd  Pd2  4  0.2083  0.5000  0.3254  1.0
  Pt  Pt3  4  0.0454  0.5000  0.8965  1.0
  Pt  Pt4  4  0.1327  0.5000  0.5707  1.0
]