data_[In6Ag45Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.7932]
_cell_length_b [9.7932]
_cell_length_c [14.3187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [In2Ag15Bi2]
_chemical_formula_sum '[In6 Ag45 Bi6]'
_cell_volume [1189.2710]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1074  1.0
  Ag  Ag1  18  0.0000  0.3233  0.0000  1.0
  Ag  Ag2  18  0.0027  0.5014  0.1621  1.0
  Ag  Ag3  9  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  6  0.0000  0.0000  0.3725  1.0
]