data_[Ca4Sb12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1147]
_cell_length_b [14.2518]
_cell_length_c [13.1678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaSb3Pd5]
_chemical_formula_sum '[Ca4 Sb12 Pd20]'
_cell_volume [772.1841]
_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
[
  Ca  Ca0  4  0.0000  0.0994  0.2500  1
  Sb  Sb1  8  0.0000  0.3798  0.5507  1
  Sb  Sb2  4  0.0000  0.1338  0.7500  1
  Pd  Pd3  8  0.0000  0.1957  0.5590  1
  Pd  Pd4  8  0.0000  0.4468  0.1444  1
  Pd  Pd5  4  0.0000  0.0000  0.0000  1
]