data_[Ca8Ga12Pd20]
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 [Cmc2_1]
_cell_length_a [4.2746]
_cell_length_b [24.6252]
_cell_length_c [6.8226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2Ga3Pd5]
_chemical_formula_sum '[Ca8 Ga12 Pd20]'
_cell_volume [718.1755]
_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  0.1767  0.2230  1
  Ca  Ca1  4  0.0000  0.4767  0.2881  1
  Ga  Ga2  4  0.0000  0.0449  0.0881  1
  Ga  Ga3  4  0.0000  0.2173  0.6721  1
  Ga  Ga4  4  0.0000  0.3760  0.0523  1
  Pd  Pd5  4  0.0000  0.0594  0.4607  1
  Pd  Pd6  4  0.0000  0.1185  0.8204  1
  Pd  Pd7  4  0.0000  0.2739  0.9767  1
  Pd  Pd8  4  0.0000  0.3039  0.3924  1
  Pd  Pd9  4  0.0000  0.4032  0.6614  1
]