data_[Ti2Ag2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1315]
_cell_length_b [12.1110]
_cell_length_c [7.3810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TiAgHgBr6]
_chemical_formula_sum '[Ti2 Ag2 Hg2 Br12]'
_cell_volume [595.7641]
_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  0.3471  0.5000  1
  Ag  Ag1  2  0.0000  0.6864  0.5000  1
  Hg  Hg2  2  0.0000  0.8642  0.0000  1
  Br  Br3  4  0.2113  0.5018  0.7162  1
  Br  Br4  4  0.2169  0.3441  0.2939  1
  Br  Br5  4  0.2290  0.2051  0.7254  1
]