data_[Cs1Hg2C2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4029]
_cell_length_b [5.7413]
_cell_length_c [7.5301]
_cell_angle_alpha [107.8991]
_cell_angle_beta [100.4957]
_cell_angle_gamma [102.7639]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHg2(CO3)2]
_chemical_formula_sum '[Cs1 Hg2 C2 O6]'
_cell_volume [208.7631]
_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
[
  Cs  Cs0  1  0.5000  0.5000  0.0000  1.0
  Hg  Hg1  2  0.2323  0.6858  0.5251  1.0
  C  C2  2  0.1761  0.0521  0.2935  1.0
  O  O3  2  0.0746  0.9969  0.7304  1.0
  O  O4  2  0.2930  0.8759  0.2908  1.0
  O  O5  2  0.3247  0.2818  0.3193  1.0
]