data_[Cu8Hg4Te4O24]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4435]
_cell_length_b [8.2494]
_cell_length_c [7.2586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2HgTeO6]
_chemical_formula_sum '[Cu8 Hg4 Te4 O24]'
_cell_volume [555.4129]
_cell_formula_units_Z [4]
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  8  0.1785  0.4968  0.0634  1.0
  Hg  Hg1  4  0.0000  0.1448  0.7500  1.0
  Te  Te2  4  0.0000  0.2633  0.2500  1.0
  O  O3  8  0.0432  0.3129  0.9979  1.0
  O  O4  8  0.1309  0.0877  0.3502  1.0
  O  O5  8  0.1588  0.4263  0.3098  1.0
]