data_[Zr2In6Hg4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4077]
_cell_length_b [7.2186]
_cell_length_c [7.1530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrIn3(HgCl3)2]
_chemical_formula_sum '[Zr2 In6 Hg4 Cl12]'
_cell_volume [846.3730]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.5000  1.0
  In  In1  4  0.2500  0.2500  0.5000  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1658  0.5000  0.8139  1.0
  Cl  Cl4  8  0.0737  0.2425  0.3218  1.0
  Cl  Cl5  4  0.1143  0.0000  0.7409  1.0
]