data_[Cu4Hg2Pd4]
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 [C2/m]
_cell_length_a [7.3885]
_cell_length_b [4.6584]
_cell_length_c [4.8217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2HgPd2]
_chemical_formula_sum '[Cu4 Hg2 Pd4]'
_cell_volume [154.9976]
_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  0.2068  0.5000  0.5983  1
  Hg  Hg1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  4  0.1051  0.0000  0.7943  1
]