data_[Cu8Tc16Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.0949]
_cell_length_b [15.2046]
_cell_length_c [4.5018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Cu(TcHg)2]
_chemical_formula_sum '[Cu8 Tc16 Hg16]'
_cell_volume [690.9835]
_cell_formula_units_Z [8]
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
[
  Tc  Tc0  16  0.0133  0.2859  0.8919  1
  Cu  Cu1  8  0.0000  0.0000  0.3759  1
  Hg  Hg2  16  0.0244  0.4049  0.3797  1
]