data_[Pr10Au2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5355]
_cell_length_b [6.0516]
_cell_length_c [8.6123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5AuSe5]
_chemical_formula_sum '[Pr10 Au2 Se10]'
_cell_volume [669.5965]
_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  0.1620  0.0000  0.8264  1.0
  Pr  Pr1  4  0.1668  0.0000  0.3415  1.0
  Pr  Pr2  2  0.0000  0.5000  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.1710  0.5000  0.8402  1.0
  Se  Se5  4  0.1719  0.5000  0.3318  1.0
  Se  Se6  2  0.0000  0.0000  0.5000  1.0
]