data_[In6Sn2Pb1]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.2848]
_cell_length_b [5.2848]
_cell_length_c [10.4438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [In6Sn2Pb]
_chemical_formula_sum '[In6 Sn2 Pb1]'
_cell_volume [252.6068]
_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  0.0000  0.0000  0.1635  1
  In  In1  2  0.3333  0.6667  0.3764  1
  In  In2  2  0.3333  0.6667  0.0446  1
  Sn  Sn3  2  0.3333  0.6667  0.7163  1
  Pb  Pb4  1  0.0000  0.0000  0.5000  1
]