data_[Ca4Al2Cu4Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P4/mbm]
_cell_length_a [9.6139]
_cell_length_b [9.6139]
_cell_length_c [3.7228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2AlCu2Pd5]
_chemical_formula_sum '[Ca4 Al2 Cu4 Pd10]'
_cell_volume [344.0847]
_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
[
  Ca  Ca0  4  0.1730  0.3270  0.0000  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1264  0.6264  0.0000  1
  Pd  Pd3  8  0.0632  0.8024  0.5000  1
  Pd  Pd4  2  0.0000  0.5000  0.5000  1
]