data_[In2Bi1Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4748]
_cell_length_b [3.4748]
_cell_length_c [26.6582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [In2BiPb6]
_chemical_formula_sum '[In2 Bi1 Pb6]'
_cell_volume [278.7507]
_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  2  0.3333  0.6667  0.6677  1.0
  Bi  Bi1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.2253  1.0
  Pb  Pb3  2  0.0000  0.0000  0.4372  1.0
  Pb  Pb4  2  0.3333  0.6667  0.1126  1.0
]