data_[Cu2Re4Hg2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9421]
_cell_length_b [5.6271]
_cell_length_c [7.8799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuRe2HgO8]
_chemical_formula_sum '[Cu2 Re4 Hg2 O16]'
_cell_volume [503.0203]
_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
[
  Re  Re0  4  0.1868  0.5000  0.1610  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.1081  0.2420  0.1640  1.0
  O  O4  4  0.1754  0.0000  0.6365  1.0
  O  O5  4  0.2029  0.5000  0.9552  1.0
]