data_[In3Hg7Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P3m1]
_cell_length_a [8.6434]
_cell_length_b [8.6434]
_cell_length_c [5.1107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [In3Hg7Cl]
_chemical_formula_sum '[In3 Hg7 Cl1]'
_cell_volume [330.6618]
_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
[
  In  In0  3  0.5093  0.0186  0.2483  1.0
  Hg  Hg1  3  0.1571  0.8429  0.9375  1.0
  Hg  Hg2  3  0.2575  0.1287  0.5112  1.0
  Hg  Hg3  1  0.6667  0.3333  0.7965  1.0
  Cl  Cl4  1  0.3333  0.6667  0.4974  1.0
]