data_[Na2Ca8Pd4]
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 [P1]
_cell_length_a [7.7744]
_cell_length_b [7.9117]
_cell_length_c [8.2054]
_cell_angle_alpha [80.8658]
_cell_angle_beta [62.7108]
_cell_angle_gamma [74.8672]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na(Ca2Pd)2]
_chemical_formula_sum '[Na2 Ca8 Pd4]'
_cell_volume [432.5270]
_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
[
  Na  Na0  1  0.1705  0.8975  0.8599  1
  Na  Na1  1  0.6961  0.9189  0.8189  1
  Ca  Ca2  1  0.1303  0.5227  0.1092  1
  Ca  Ca3  1  0.1479  0.6749  0.5247  1
  Ca  Ca4  1  0.2251  0.0695  0.1900  1
  Ca  Ca5  1  0.4409  0.2404  0.6429  1
  Ca  Ca6  1  0.6204  0.6478  0.5603  1
  Ca  Ca7  1  0.6313  0.5420  0.1074  1
  Ca  Ca8  1  0.7087  0.0634  0.1986  1
  Ca  Ca9  1  0.9517  0.2503  0.6379  1
  Pd  Pd10  1  0.3260  0.3377  0.3401  1
  Pd  Pd11  1  0.3499  0.9607  0.4790  1
  Pd  Pd12  1  0.5333  0.2958  0.9407  1
  Pd  Pd13  1  0.8178  0.3285  0.3403  1
]