data_[Pr8Si8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1803]
_cell_length_b [4.3715]
_cell_length_c [10.9991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Si2Au]
_chemical_formula_sum '[Pr8 Si8 Au4]'
_cell_volume [474.6894]
_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  0.1049  0.0000  0.9059  1.0
  Pr  Pr1  4  0.2118  0.5000  0.6529  1.0
  Si  Si2  4  0.0314  0.0000  0.4113  1.0
  Si  Si3  4  0.1123  0.5000  0.1057  1.0
  Au  Au4  4  0.0657  0.5000  0.3179  1.0
]