data_[Cd12Cu2Hg6]
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 [P2_1/c]
_cell_length_a [7.9756]
_cell_length_b [6.6185]
_cell_length_c [11.9406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.2416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd6CuHg3]
_chemical_formula_sum '[Cd12 Cu2 Hg6]'
_cell_volume [473.9453]
_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  4  0.0964  0.1686  0.4187  1
  Cd  Cd1  4  0.2681  0.6041  0.4390  1
  Cd  Cd2  4  0.3786  0.7107  0.7341  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.2018  0.2005  0.7170  1
  Hg  Hg5  2  0.5000  0.0000  0.5000  1
]