data_[V2Hg6Te4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8601]
_cell_length_b [7.2021]
_cell_length_c [5.4379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VHg3Te2F6]
_chemical_formula_sum '[V2 Hg6 Te4 F12]'
_cell_volume [526.8396]
_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
[
  V  V0  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.2500  0.2500  0.5000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0000  1.0
  Te  Te3  4  0.2005  0.5000  0.1179  1.0
  F  F4  8  0.0705  0.1900  0.7061  1.0
  F  F5  4  0.0999  0.0000  0.3112  1.0
]