data_[In14Sn4Hg4Bi2]
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 [C2/m]
_cell_length_a [21.8400]
_cell_length_b [5.6033]
_cell_length_c [5.6381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In7Sn2Hg2Bi]
_chemical_formula_sum '[In14 Sn4 Hg4 Bi2]'
_cell_volume [675.5519]
_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  0.0871  0.0000  0.0903  1.0
  In  In1  4  0.0873  0.5000  0.5842  1.0
  In  In2  4  0.1728  0.0000  0.6873  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  4  0.2495  0.5000  0.7387  1.0
  Hg  Hg5  4  0.1654  0.5000  0.1544  1.0
  Bi  Bi6  2  0.0000  0.0000  0.5000  1.0
]