data_[Ba8Cu8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8342]
_cell_length_b [4.5390]
_cell_length_c [11.8361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Cu2Pd]
_chemical_formula_sum '[Ba8 Cu8 Pd4]'
_cell_volume [572.2150]
_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  4  0.0966  0.0000  0.8902  1
  Ba  Ba1  4  0.2020  0.5000  0.6367  1
  Cu  Cu2  4  0.0327  0.0000  0.4147  1
  Cu  Cu3  4  0.0977  0.5000  0.1097  1
  Pd  Pd4  4  0.0646  0.5000  0.3163  1
]