data_[Cs2Hg2Mo2F12]
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
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3186]
_cell_length_b [6.4042]
_cell_length_c [5.6584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsHgMoF6]
_chemical_formula_sum '[Cs2 Hg2 Mo2 F12]'
_cell_volume [410.1605]
_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
[
  Cs  Cs0  2  0.4971  0.5000  0.9417  1.0
  Hg  Hg1  2  0.3266  0.0000  0.1986  1.0
  Mo  Mo2  2  0.1673  0.5000  0.5477  1.0
  F  F3  4  0.0779  0.2769  0.4065  1.0
  F  F4  4  0.2593  0.2878  0.7016  1.0
  F  F5  2  0.0571  0.5000  0.8129  1.0
  F  F6  2  0.2773  0.5000  0.2834  1.0
]