data_[Cs1In1Hg2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6386]
_cell_length_b [8.1328]
_cell_length_c [8.1460]
_cell_angle_alpha [117.3412]
_cell_angle_beta [105.1314]
_cell_angle_gamma [91.7351]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsIn(HgI2)2]
_chemical_formula_sum '[Cs1 In1 Hg2 I4]'
_cell_volume [427.2351]
_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
[
  Cs  Cs0  1  0.9255  0.4963  0.4538  1.0
  In  In1  1  0.7494  0.7365  0.9864  1.0
  Hg  Hg2  1  0.2672  0.9740  0.5852  1.0
  Hg  Hg3  1  0.4067  0.2576  0.0706  1.0
  I  I4  1  0.0429  0.5442  0.0025  1.0
  I  I5  1  0.4767  0.4832  0.6451  1.0
  I  I6  1  0.6540  0.8642  0.3206  1.0
  I  I7  1  0.8647  0.0310  0.9359  1.0
]