data_[Ba4Zn4Pd6]
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 [C2/m]
_cell_length_a [11.9082]
_cell_length_b [4.3016]
_cell_length_c [7.5086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Zn2Pd3]
_chemical_formula_sum '[Ba4 Zn4 Pd6]'
_cell_volume [338.0437]
_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  4  0.1411  0.0000  0.7485  1
  Zn  Zn1  4  0.1218  0.0000  0.2153  1
  Pd  Pd2  4  0.1550  0.5000  0.4311  1
  Pd  Pd3  2  0.0000  0.5000  0.0000  1
]