data_[Pr2Al8Zn2]
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 [Pmma]
_cell_length_a [6.9265]
_cell_length_b [4.4962]
_cell_length_c [7.6693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrAl4Zn]
_chemical_formula_sum '[Pr2 Al8 Zn2]'
_cell_volume [238.8460]
_cell_formula_units_Z [2]
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  2  0.2500  0.0000  0.6484  1
  Al  Al1  4  0.0569  0.5000  0.3105  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Al  Al3  2  0.2500  0.5000  0.9458  1
  Zn  Zn4  2  0.2500  0.0000  0.2615  1
]