data_[In6Sn2Hg2Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2615]
_cell_length_b [4.2528]
_cell_length_c [10.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In3SnHgBi]
_chemical_formula_sum '[In6 Sn2 Hg2 Bi2]'
_cell_volume [337.5728]
_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  2  0.1530  0.7500  0.8064  1.0
  In  In1  2  0.1665  0.2500  0.0646  1.0
  In  In2  2  0.1743  0.2500  0.5674  1.0
  Sn  Sn3  2  0.1770  0.7500  0.3304  1.0
  Hg  Hg4  2  0.4932  0.2500  0.3771  1.0
  Bi  Bi5  2  0.4954  0.7500  0.1226  1.0
]