data_[Pr2Pt12Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5078]
_cell_length_b [9.3256]
_cell_length_c [9.4062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr(PtAu)6]
_chemical_formula_sum '[Pr2 Pt12 Au12]'
_cell_volume [483.1327]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt1  8  0.2500  0.2500  0.2500  1.0
  Pt  Pt2  4  0.0000  0.2657  0.5000  1.0
  Au  Au3  4  0.0000  0.0000  0.3448  1.0
  Au  Au4  4  0.0000  0.3346  0.0000  1.0
  Au  Au5  4  0.0000  0.5000  0.3076  1.0
]