data_[In3Hg7Bi1]
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 [P3m1]
_cell_length_a [7.3007]
_cell_length_b [7.3007]
_cell_length_c [6.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [In3Hg7Bi]
_chemical_formula_sum '[In3 Hg7 Bi1]'
_cell_volume [318.2627]
_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  0.3453  0.1726  0.7837  1.0
  Hg  Hg1  3  0.0312  0.5156  0.4713  1.0
  Hg  Hg2  3  0.1817  0.3634  0.0893  1.0
  Hg  Hg3  1  0.6667  0.3333  0.1521  1.0
  Bi  Bi4  1  0.0000  0.0000  0.4300  1.0
]