data_[Pr8Zr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5072]
_cell_length_b [13.7636]
_cell_length_c [6.1427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PrZr]
_chemical_formula_sum '[Pr8 Zr8]'
_cell_volume [465.6098]
_cell_formula_units_Z [8]
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  4  0.0000  0.1534  0.6243  1
  Pr  Pr1  2  0.0000  0.0000  0.1707  1
  Pr  Pr2  2  0.0000  0.5000  0.2052  1
  Zr  Zr3  4  0.0000  0.2421  0.1307  1
  Zr  Zr4  4  0.0000  0.3792  0.7213  1
]