data_[Ba2Al10Cu2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1759]
_cell_length_b [7.3493]
_cell_length_c [10.2098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaAl5CuPd]
_chemical_formula_sum '[Ba2 Al10 Cu2 Pd2]'
_cell_volume [313.3398]
_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  0.0041  1
  Al  Al1  4  0.0000  0.1854  0.3445  1
  Al  Al2  4  0.0000  0.1878  0.6586  1
  Al  Al3  2  0.0000  0.5000  0.9951  1
  Cu  Cu4  2  0.0000  0.5000  0.7625  1
  Pd  Pd5  2  0.0000  0.5000  0.2322  1
]