data_[Pr20Sn8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.5586]
_cell_length_b [6.1769]
_cell_length_c [9.0909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Sn2]
_chemical_formula_sum '[Pr20 Sn8]'
_cell_volume [924.0027]
_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  8  0.1077  0.1803  0.4397  1.0
  Pr  Pr1  8  0.2226  0.4040  0.8207  1.0
  Pr  Pr2  4  0.0000  0.2885  0.7500  1.0
  Sn  Sn3  8  0.0944  0.3073  0.0887  1.0
]