data_[Pr4Pt4Au6]
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 [C2/m]
_cell_length_a [10.3394]
_cell_length_b [4.2261]
_cell_length_c [7.1277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Pt2Au3]
_chemical_formula_sum '[Pr4 Pt4 Au6]'
_cell_volume [309.2805]
_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  4  0.1168  0.5000  0.3224  1
  Pt  Pt1  4  0.0933  0.0000  0.6450  1
  Au  Au2  4  0.1965  0.5000  0.8771  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
]