data_[Ga4Hg2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0830]
_cell_length_b [4.0899]
_cell_length_c [6.4527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2HgPd8]
_chemical_formula_sum '[Ga4 Hg2 Pd16]'
_cell_volume [348.7906]
_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
[
  Ga  Ga0  4  0.2155  0.0000  0.6645  1.0
  Hg  Hg1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0413  0.0000  0.7256  1.0
  Pd  Pd3  4  0.1037  0.5000  0.4750  1.0
  Pd  Pd4  4  0.1583  0.0000  0.2314  1.0
  Pd  Pd5  4  0.1800  0.5000  0.9277  1.0
]