data_[Ga12Cu4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8497]
_cell_length_b [7.2324]
_cell_length_c [9.6197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga3CuPd5]
_chemical_formula_sum '[Ga12 Cu4 Pd20]'
_cell_volume [611.6648]
_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
[
  Ga  Ga0  4  0.1763  0.5000  0.5256  1
  Ga  Ga1  4  0.2291  0.5000  0.1275  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  Ga  Ga3  2  0.0000  0.0000  0.5000  1
  Cu  Cu4  4  0.0283  0.0000  0.2570  1
  Pd  Pd5  8  0.1975  0.2043  0.6574  1
  Pd  Pd6  4  0.0000  0.3195  0.0000  1
  Pd  Pd7  4  0.0201  0.5000  0.2935  1
  Pd  Pd8  4  0.2423  0.5000  0.8725  1
]