data_[Ba2Zn12Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7921]
_cell_length_b [7.1552]
_cell_length_c [8.6246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba(Zn2Pd)3]
_chemical_formula_sum '[Ba2 Zn12 Pd6]'
_cell_volume [366.9639]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  4  0.1496  0.0011  0.6686  1
  Zn  Zn2  4  0.2954  0.6738  0.9196  1
  Zn  Zn3  4  0.4793  0.2487  0.7450  1
  Pd  Pd4  4  0.2336  0.1739  0.4018  1
  Pd  Pd5  2  0.5000  0.0000  0.0000  1
]