data_[In8Sn4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.2101]
_cell_length_b [9.9995]
_cell_length_c [19.5224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [In4Sn2Hg5]
_chemical_formula_sum '[In8 Sn4 Hg10]'
_cell_volume [626.6612]
_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
[
  In  In0  4  0.0000  0.2313  0.5000  1
  In  In1  4  0.0000  0.5000  0.0902  1
  Sn  Sn2  4  0.0000  0.5000  0.2470  1
  Hg  Hg3  8  0.0000  0.2700  0.3399  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
]