data_[Na8Ca24Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1808]
_cell_length_b [18.4756]
_cell_length_c [6.3616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCa3Pd]
_chemical_formula_sum '[Na8 Ca24 Pd8]'
_cell_volume [1322.9208]
_cell_formula_units_Z [8]
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
[
  Na  Na0  4  0.0000  0.0286  0.2500  1.0
  Na  Na1  4  0.0000  0.4003  0.7500  1.0
  Ca  Ca2  8  0.1060  0.2501  0.5390  1.0
  Ca  Ca3  8  0.1687  0.1346  0.0362  1.0
  Ca  Ca4  8  0.1779  0.4298  0.3328  1.0
  Pd  Pd5  8  0.1587  0.2885  0.0998  1.0
]