data_[In12Hg2Bi7]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [14.5278]
_cell_length_b [14.5278]
_cell_length_c [3.4488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [In12Hg2Bi7]
_chemical_formula_sum '[In12 Hg2 Bi7]'
_cell_volume [630.3787]
_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  0.0832  0.4903  0.0000  1
  In  In1  3  0.1737  0.7443  0.5000  1
  In  In2  3  0.2291  0.1919  0.0000  1
  In  In3  3  0.4378  0.1468  0.5000  1
  Hg  Hg4  1  0.0000  0.0000  0.5000  1
  Hg  Hg5  1  0.6667  0.3333  0.0000  1
  Bi  Bi6  3  0.0370  0.2490  0.0000  1
  Bi  Bi7  3  0.4515  0.3761  0.5000  1
  Bi  Bi8  1  0.3333  0.6667  0.0000  1
]