data_[Hf16Ga4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8440]
_cell_length_b [13.9034]
_cell_length_c [4.8880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf8Ga2Pd3]
_chemical_formula_sum '[Hf16 Ga4 Pd6]'
_cell_volume [533.0770]
_cell_formula_units_Z [2]
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
[
  Hf  Hf0  8  0.2042  0.6174  0.5000  1
  Hf  Hf1  4  0.0000  0.1038  0.0000  1
  Hf  Hf2  4  0.0000  0.3168  0.0000  1
  Ga  Ga3  4  0.0000  0.2195  0.5000  1
  Pd  Pd4  4  0.1810  0.5000  0.0000  1
  Pd  Pd5  2  0.0000  0.0000  0.5000  1
]