data_[Na4Ca12Pd4]
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 [Cm]
_cell_length_a [17.7366]
_cell_length_b [4.0156]
_cell_length_c [9.4368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaCa3Pd]
_chemical_formula_sum '[Na4 Ca12 Pd4]'
_cell_volume [654.7857]
_cell_formula_units_Z [4]
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  2  0.0019  0.5000  0.6000  1.0
  Na  Na1  2  0.3214  0.0000  0.4297  1.0
  Ca  Ca2  2  0.0431  0.5000  0.9867  1.0
  Ca  Ca3  2  0.1511  0.5000  0.4026  1.0
  Ca  Ca4  2  0.1792  0.0000  0.7882  1.0
  Ca  Ca5  2  0.2580  0.5000  0.1096  1.0
  Ca  Ca6  2  0.3626  0.5000  0.7989  1.0
  Ca  Ca7  2  0.4660  0.5000  0.2339  1.0
  Pd  Pd8  2  0.1384  0.0000  0.1698  1.0
  Pd  Pd9  2  0.3703  0.0000  0.0267  1.0
]