data_[Hf2Ga4Pd16]
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 [C2/m]
_cell_length_a [13.9627]
_cell_length_b [4.1350]
_cell_length_c [6.4738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf(GaPd4)2]
_chemical_formula_sum '[Hf2 Ga4 Pd16]'
_cell_volume [345.6143]
_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  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga1  4  0.2117  0.0000  0.6606  1.0
  Pd  Pd2  4  0.0379  0.0000  0.7310  1.0
  Pd  Pd3  4  0.1069  0.5000  0.4650  1.0
  Pd  Pd4  4  0.1527  0.0000  0.2164  1.0
  Pd  Pd5  4  0.1782  0.5000  0.9299  1.0
]