data_[Pr4Zn2B2Pd12]
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
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7369]
_cell_length_b [8.7852]
_cell_length_c [7.4000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pr2ZnBPd6]
_chemical_formula_sum '[Pr4 Zn2 B2 Pd12]'
_cell_volume [372.9593]
_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  4  0.0000  0.2174  0.2851  1.0
  Zn  Zn1  2  0.0000  0.5000  0.6775  1.0
  B  B2  2  0.0000  0.0000  0.8163  1.0
  Pd  Pd3  4  0.0000  0.2408  0.8526  1.0
  Pd  Pd4  4  0.2376  0.5000  0.9856  1.0
  Pd  Pd5  4  0.2435  0.0000  0.6042  1.0
]