data_[Na1Pr1Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.6994]
_cell_length_b [5.5878]
_cell_length_c [9.7247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [NaPrAu10]
_chemical_formula_sum '[Na1 Pr1 Au10]'
_cell_volume [255.3629]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1
  Pr  Pr1  1  0.0000  0.5000  0.5000  1
  Au  Au2  4  0.5000  0.2540  0.2545  1
  Au  Au3  2  0.0000  0.0000  0.3291  1
  Au  Au4  2  0.0000  0.5000  0.1640  1
  Au  Au5  1  0.5000  0.0000  0.5000  1
  Au  Au6  1  0.5000  0.5000  0.0000  1
]