data_[In4Ag4Hg4Br16]
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 [C2/m]
_cell_length_a [14.2091]
_cell_length_b [8.2785]
_cell_length_c [11.2604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InAgHgBr4]
_chemical_formula_sum '[In4 Ag4 Hg4 Br16]'
_cell_volume [1221.4428]
_cell_formula_units_Z [4]
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  4  0.1999  0.5000  0.3021  1.0
  Ag  Ag1  4  0.1619  0.0000  0.2674  1.0
  Hg  Hg2  4  0.0550  0.0000  0.8755  1.0
  Br  Br3  8  0.2235  0.2580  0.1704  1.0
  Br  Br4  4  0.0365  0.5000  0.3346  1.0
  Br  Br5  4  0.1368  0.0000  0.4904  1.0
]