data_[Pr8Ni20Sn12]
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 [10.1846]
_cell_length_b [12.2101]
_cell_length_c [6.2036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Ni5Sn3]
_chemical_formula_sum '[Pr8 Ni20 Sn12]'
_cell_volume [771.4470]
_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  0.2348  0.3756  0.0000  1.0
  Ni  Ni1  8  0.0000  0.2225  0.2500  1.0
  Ni  Ni2  8  0.1423  0.1228  0.0000  1.0
  Ni  Ni3  4  0.0000  0.5000  0.2500  1.0
  Sn  Sn4  8  0.1111  0.3617  0.5000  1.0
  Sn  Sn5  4  0.0000  0.0000  0.2500  1.0
]