data_[Cd6Hg1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0073]
_cell_length_b [5.0353]
_cell_length_c [7.4445]
_cell_angle_alpha [81.9457]
_cell_angle_beta [80.5001]
_cell_angle_gamma [78.1983]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd6HgPd]
_chemical_formula_sum '[Cd6 Hg1 Pd1]'
_cell_volume [180.1108]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  2  0.0869  0.4235  0.2847  1.0
  Cd  Cd1  2  0.2359  0.0145  0.6091  1.0
  Cd  Cd2  2  0.4537  0.3022  0.8824  1.0
  Hg  Hg3  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  1  0.5000  0.5000  0.5000  1.0
]