data_[Pr8Ni12Sn20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.5026]
_cell_length_b [12.6725]
_cell_length_c [6.4610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Ni3Sn5]
_chemical_formula_sum '[Pr8 Ni12 Sn20]'
_cell_volume [859.9244]
_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  0.2355  0.3582  0.5000  1.0
  Ni  Ni1  8  0.1057  0.3639  0.0000  1.0
  Ni  Ni2  4  0.0000  0.0000  0.2500  1.0
  Sn  Sn3  8  0.0000  0.2345  0.2500  1.0
  Sn  Sn4  8  0.1642  0.0901  0.5000  1.0
  Sn  Sn5  4  0.0000  0.5000  0.2500  1.0
]