data_[Pr16Si8]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3164]
_cell_length_b [17.2695]
_cell_length_c [9.3596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2Si]
_chemical_formula_sum '[Pr16 Si8]'
_cell_volume [697.6812]
_cell_formula_units_Z [8]
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  0.0000  0.0279  0.4961  1.0
  Pr  Pr1  4  0.0000  0.1595  0.8465  1.0
  Pr  Pr2  4  0.0000  0.3049  0.0787  1.0
  Pr  Pr3  4  0.0000  0.3735  0.6786  1.0
  Si  Si4  4  0.0000  0.2016  0.3575  1.0
  Si  Si5  4  0.0000  0.4565  0.2546  1.0
]