data_[Hg6Te4Mo2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1882]
_cell_length_b [7.3266]
_cell_length_c [5.3669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg3Te2MoF6]
_chemical_formula_sum '[Hg6 Te4 Mo2 F12]'
_cell_volume [538.6673]
_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
[
  Hg  Hg0  4  0.2500  0.2500  0.5000  1.0
  Hg  Hg1  2  0.0000  0.5000  0.0000  1.0
  Te  Te2  4  0.1971  0.5000  0.1166  1.0
  Mo  Mo3  2  0.0000  0.0000  0.5000  1.0
  F  F4  8  0.0789  0.2038  0.7103  1.0
  F  F5  4  0.0958  0.0000  0.2870  1.0
]