data_[Hf12Ga6Pd2]
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 [P2_1/c]
_cell_length_a [5.3609]
_cell_length_b [7.6985]
_cell_length_c [11.1695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Ga3Pd]
_chemical_formula_sum '[Hf12 Ga6 Pd2]'
_cell_volume [408.7568]
_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  4  0.1072  0.0255  0.2500  1
  Hf  Hf1  4  0.1620  0.6697  0.0768  1
  Hf  Hf2  4  0.4996  0.1704  0.0787  1
  Ga  Ga3  4  0.3510  0.1332  0.7467  1
  Ga  Ga4  2  0.5000  0.0000  0.5000  1
  Pd  Pd5  2  0.0000  0.0000  0.0000  1
]