data_[Cs2Zn2Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0482]
_cell_length_b [8.1711]
_cell_length_c [10.4454]
_cell_angle_alpha [112.2714]
_cell_angle_beta [94.6745]
_cell_angle_gamma [90.1012]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2Zn2HgI6]
_chemical_formula_sum '[Cs2 Zn2 Hg1 I6]'
_cell_volume [554.4943]
_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  2  0.2335  0.4772  0.7542  1.0
  Zn  Zn1  2  0.1608  0.0102  0.1467  1.0
  Hg  Hg2  1  0.0000  0.0000  0.5000  1.0
  I  I3  2  0.2278  0.0075  0.8921  1.0
  I  I4  2  0.2620  0.7132  0.1653  1.0
  I  I5  2  0.2741  0.3114  0.3403  1.0
]