data_[In3Sn2Pb4]
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 [P3m1]
_cell_length_a [3.3914]
_cell_length_b [3.3914]
_cell_length_c [27.0373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [In3(SnPb2)2]
_chemical_formula_sum '[In3 Sn2 Pb4]'
_cell_volume [269.3137]
_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  1  0.0000  0.0000  0.3438  1.0
  In  In1  1  0.3333  0.6667  0.0165  1.0
  In  In2  1  0.3333  0.6667  0.6802  1.0
  Sn  Sn3  1  0.0000  0.0000  0.1238  1.0
  Sn  Sn4  1  0.0000  0.0000  0.9126  1.0
  Pb  Pb5  1  0.0000  0.0000  0.5675  1.0
  Pb  Pb6  1  0.0000  0.0000  0.7913  1.0
  Pb  Pb7  1  0.3333  0.6667  0.2324  1.0
  Pb  Pb8  1  0.3333  0.6667  0.4548  1.0
]