data_[Ba12Zn12Pd8]
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 [Cmcm]
_cell_length_a [4.5890]
_cell_length_b [12.0231]
_cell_length_c [16.5905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3Zn3Pd2]
_chemical_formula_sum '[Ba12 Zn12 Pd8]'
_cell_volume [915.3773]
_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
[
  Ba  Ba0  8  0.0000  0.0668  0.6031  1.0
  Ba  Ba1  4  0.0000  0.3581  0.7500  1.0
  Zn  Zn2  8  0.0000  0.3305  0.5363  1.0
  Zn  Zn3  4  0.0000  0.3398  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2268  0.1081  1.0
]