data_[Cu2Hg2O5]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6109]
_cell_length_b [3.6109]
_cell_length_c [8.4011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cu2Hg2O5]
_chemical_formula_sum '[Cu2 Hg2 O5]'
_cell_volume [109.5414]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2462  1
  Hg  Hg1  1  0.5000  0.5000  0.0000  1
  Hg  Hg2  1  0.5000  0.5000  0.5000  1
  O  O3  4  0.0000  0.5000  0.1887  1
  O  O4  1  0.0000  0.0000  0.5000  1
]