data_[Zn4Ni4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8089]
_cell_length_b [2.8430]
_cell_length_c [6.9796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnNiPd3]
_chemical_formula_sum '[Zn4 Ni4 Pd12]'
_cell_volume [285.9118]
_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
[
  Zn  Zn0  4  0.0168  0.0000  0.2612  1.0
  Ni  Ni1  4  0.2133  0.0000  0.8623  1.0
  Pd  Pd2  4  0.0980  0.5000  0.0123  1.0
  Pd  Pd3  4  0.1003  0.5000  0.5859  1.0
  Pd  Pd4  4  0.1986  0.0000  0.3431  1.0
]