data_[In8Sn2Hg6]
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 [Pmn2_1]
_cell_length_a [8.3404]
_cell_length_b [9.2754]
_cell_length_c [6.5330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [In4SnHg3]
_chemical_formula_sum '[In8 Sn2 Hg6]'
_cell_volume [505.3914]
_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  0.2407  0.3505  0.3177  1.0
  In  In1  2  0.0000  0.1475  0.0494  1.0
  In  In2  2  0.0000  0.8430  0.5528  1.0
  Sn  Sn3  2  0.0000  0.8239  0.0491  1.0
  Hg  Hg4  4  0.2490  0.3357  0.8221  1.0
  Hg  Hg5  2  0.0000  0.1578  0.5539  1.0
]