data_[Pr12Zn88]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.8766]
_cell_length_b [8.8766]
_cell_length_c [21.2190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Pr3Zn22]
_chemical_formula_sum '[Pr12 Zn88]'
_cell_volume [1671.9189]
_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  0.0000  0.0000  0.1211  1
  Pr  Pr1  4  0.0000  0.0000  0.5000  1
  Zn  Zn2  32  0.2313  0.2419  0.8140  1
  Zn  Zn3  16  0.0000  0.1472  0.7418  1
  Zn  Zn4  16  0.0000  0.1516  0.3617  1
  Zn  Zn5  16  0.0000  0.2237  0.0016  1
  Zn  Zn6  8  0.0000  0.2500  0.6250  1
]