data_[Cu2Hg2Pd6]
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 [P2_1/m]
_cell_length_a [4.9189]
_cell_length_b [4.6318]
_cell_length_c [7.3534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuHgPd3]
_chemical_formula_sum '[Cu2 Hg2 Pd6]'
_cell_volume [159.4431]
_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  2  0.4615  0.2500  0.5968  1.0
  Hg  Hg1  2  0.0717  0.2500  0.8041  1.0
  Pd  Pd2  2  0.1453  0.7500  0.5895  1.0
  Pd  Pd3  2  0.2799  0.2500  0.2200  1.0
  Pd  Pd4  2  0.3365  0.7500  0.0045  1.0
]