data_[In1Ag1Hg2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [P1]
_cell_length_a [7.0901]
_cell_length_b [7.3571]
_cell_length_c [8.0528]
_cell_angle_alpha [92.9725]
_cell_angle_beta [114.9757]
_cell_angle_gamma [118.6478]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InAg(HgBr2)2]
_chemical_formula_sum '[In1 Ag1 Hg2 Br4]'
_cell_volume [316.6316]
_cell_formula_units_Z [1]
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
[
  In  In0  1  0.5095  0.2502  0.2438  1.0
  Ag  Ag1  1  0.1667  0.5900  0.2237  1.0
  Hg  Hg2  1  0.0693  0.0082  0.6081  1.0
  Hg  Hg3  1  0.4963  0.7868  0.6263  1.0
  Br  Br4  1  0.0760  0.1863  0.1243  1.0
  Br  Br5  1  0.4253  0.8839  0.0887  1.0
  Br  Br6  1  0.7129  0.5278  0.0928  1.0
  Br  Br7  1  0.7699  0.3796  0.6052  1.0
]