data_[Pr16Sn4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1360]
_cell_length_b [5.2202]
_cell_length_c [7.0501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Sn2Au]
_chemical_formula_sum '[Pr16 Sn4 Au2]'
_cell_volume [715.0379]
_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  0.0165  0.0000  0.7769  1.0
  Pr  Pr1  4  0.0933  0.5000  0.4753  1.0
  Pr  Pr2  4  0.1532  0.5000  0.9962  1.0
  Pr  Pr3  4  0.2151  0.0000  0.3192  1.0
  Sn  Sn4  4  0.1802  0.0000  0.7521  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]