data_[Cd4Cu2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8749]
_cell_length_b [4.6450]
_cell_length_c [12.8043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cd2CuHg]
_chemical_formula_sum '[Cd4 Cu2 Hg2]'
_cell_volume [170.9839]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.9997  1.0
  Cd  Cd1  2  0.0000  0.5000  0.8117  1.0
  Cu  Cu2  2  0.0000  0.0000  0.4990  1.0
  Hg  Hg3  2  0.0000  0.5000  0.1896  1.0
]