data_[Mn2Hg2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.4058]
_cell_length_b [8.9092]
_cell_length_c [5.0021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnHgIO6]
_chemical_formula_sum '[Mn2 Hg2 I2 O12]'
_cell_volume [240.9045]
_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
[
  Mn  Mn0  2  0.0000  0.3344  0.5000  1.0
  Hg  Hg1  2  0.0000  0.0031  0.0000  1.0
  I  I2  2  0.0000  0.6701  0.5000  1.0
  O  O3  4  0.1197  0.5047  0.7139  1.0
  O  O4  4  0.1588  0.8091  0.7256  1.0
  O  O5  4  0.1935  0.1814  0.7034  1.0
]