data_[Mn2Hg6O4F12]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6093]
_cell_length_b [6.8930]
_cell_length_c [4.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnHg3(OF3)2]
_chemical_formula_sum '[Mn2 Hg6 O4 F12]'
_cell_volume [398.7021]
_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  0.0000  0.5000  1.0
  Hg  Hg1  4  0.2500  0.2500  0.0000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0000  1.0
  O  O3  4  0.1703  0.5000  0.0756  1.0
  F  F4  8  0.0916  0.1938  0.4360  1.0
  F  F5  4  0.0866  0.0000  0.8887  1.0
]