data_[Pr24Al4Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.1400]
_cell_length_b [10.2442]
_cell_length_c [10.3656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6AlZn2]
_chemical_formula_sum '[Pr24 Al4 Zn8]'
_cell_volume [1076.7395]
_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  0.2766  0.3203  1.0
  Pr  Pr1  8  0.1820  0.2671  0.0000  1.0
  Pr  Pr2  8  0.2012  0.0000  0.2477  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
  Al  Al4  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn5  4  0.0000  0.5000  0.1250  1.0
  Zn  Zn6  4  0.1315  0.5000  0.5000  1.0
]