data_[Ca8Ga20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.2101]
_cell_length_b [12.9764]
_cell_length_c [5.8181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ca2Ga5Pd3]
_chemical_formula_sum '[Ca8 Ga20 Pd12]'
_cell_volume [770.8468]
_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  8  0.2260  0.3573  0.5000  1.0
  Ga  Ga1  8  0.0000  0.2062  0.2500  1.0
  Ga  Ga2  8  0.1721  0.0929  0.5000  1.0
  Ga  Ga3  4  0.0000  0.5000  0.2500  1.0
  Pd  Pd4  8  0.0908  0.3537  0.0000  1.0
  Pd  Pd5  4  0.0000  0.0000  0.2500  1.0
]