data_[Cu10Hg2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.5136]
_cell_length_b [7.5136]
_cell_length_c [7.6994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Cu5HgPd8]
_chemical_formula_sum '[Cu10 Hg2 Pd16]'
_cell_volume [434.6621]
_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
[
  Cu  Cu0  8  0.1273  0.2158  0.9131  1
  Cu  Cu1  2  0.0000  0.0000  0.5000  1
  Hg  Hg2  2  0.0000  0.5000  0.2500  1
  Pd  Pd3  8  0.0701  0.3315  0.5894  1
  Pd  Pd4  8  0.0970  0.1602  0.2371  1
]