data_[Cu10Hg2Pd12]
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 [Cmmm]
_cell_length_a [4.3095]
_cell_length_b [12.9149]
_cell_length_c [6.1880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cu5HgPd6]
_chemical_formula_sum '[Cu10 Hg2 Pd12]'
_cell_volume [344.4076]
_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  4  0.0000  0.3330  0.0000  1.0
  Cu  Cu1  4  0.0000  0.3345  0.5000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  8  0.0000  0.1721  0.2576  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2662  1.0
]