data_[Hg6I2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2742]
_cell_length_b [10.1026]
_cell_length_c [10.5299]
_cell_angle_alpha [63.0830]
_cell_angle_beta [72.4411]
_cell_angle_gamma [73.4841]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg3ICl5]
_chemical_formula_sum '[Hg6 I2 Cl10]'
_cell_volume [647.8441]
_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
[
  Hg  Hg0  2  0.1549  0.1997  0.3174  1
  Hg  Hg1  2  0.3917  0.7432  0.4005  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  1  0.5000  0.5000  0.0000  1
  I  I4  2  0.1289  0.7224  0.1697  1
  Cl  Cl5  2  0.0731  0.9214  0.6843  1
  Cl  Cl6  2  0.2370  0.5494  0.5878  1
  Cl  Cl7  2  0.2678  0.3867  0.9909  1
  Cl  Cl8  2  0.3704  0.3120  0.3470  1
  Cl  Cl9  2  0.4808  0.0444  0.7745  1
]