data_[Ca2Nd4Al4Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.5732]
_cell_length_b [10.5732]
_cell_length_c [3.6583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [CaNd2Al2Pd5]
_chemical_formula_sum '[Ca2 Nd4 Al4 Pd10]'
_cell_volume [408.9714]
_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  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  4  0.1786  0.6786  0.0000  1.0
  Al  Al2  4  0.1172  0.3828  0.0000  1.0
  Pd  Pd3  8  0.0668  0.2253  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.5000  1.0
]