data_[Ti2In2Hg2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.7545]
_cell_length_b [12.5202]
_cell_length_c [5.1698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TiInHgF6]
_chemical_formula_sum '[Ti2 In2 Hg2 F12]'
_cell_volume [307.1667]
_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
[
  Ti  Ti0  2  0.0000  0.6641  0.5000  1.0
  In  In1  2  0.0000  0.0140  0.0000  1.0
  Hg  Hg2  2  0.0000  0.3805  0.0000  1.0
  F  F3  4  0.2098  0.7675  0.3524  1.0
  F  F4  4  0.2301  0.5542  0.3561  1.0
  F  F5  4  0.2496  0.6493  0.8104  1.0
]