data_[Zn2Pd13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8441]
_cell_length_b [6.8022]
_cell_length_c [7.3578]
_cell_angle_alpha [71.2879]
_cell_angle_beta [84.0637]
_cell_angle_gamma [89.5913]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zn2Pd13]
_chemical_formula_sum '[Zn2 Pd13]'
_cell_volume [228.3083]
_cell_formula_units_Z [1]
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
[
  Zn  Zn0  2  0.0696  0.1407  0.6056  1.0
  Pd  Pd1  2  0.1367  0.2562  0.2105  1.0
  Pd  Pd2  2  0.1983  0.4016  0.8012  1.0
  Pd  Pd3  2  0.2655  0.5308  0.4006  1.0
  Pd  Pd4  2  0.3330  0.6672  0.9989  1.0
  Pd  Pd5  2  0.3846  0.8065  0.5962  1.0
  Pd  Pd6  2  0.4702  0.9308  0.2018  1.0
  Pd  Pd7  1  0.0000  0.0000  0.0000  1.0
]