data_[In1Sn3Pb7]
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 [7.2900]
_cell_length_b [7.2900]
_cell_length_c [7.6816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [InSn3Pb7]
_chemical_formula_sum '[In1 Sn3 Pb7]'
_cell_volume [353.5336]
_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  0.3333  0.6667  0.4306  1.0
  Sn  Sn1  3  0.0358  0.5179  0.7791  1.0
  Pb  Pb2  3  0.1569  0.3138  0.1062  1.0
  Pb  Pb3  3  0.3241  0.1621  0.4733  1.0
  Pb  Pb4  1  0.6667  0.3333  0.1088  1.0
]