data_[In2Sn2Pb8]
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 [P2_1/m]
_cell_length_a [5.7729]
_cell_length_b [6.6643]
_cell_length_c [9.5070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InSnPb4]
_chemical_formula_sum '[In2 Sn2 Pb8]'
_cell_volume [364.0054]
_cell_formula_units_Z [2]
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  0.2726  0.2500  0.5881  1.0
  Sn  Sn1  2  0.2348  0.2500  0.9131  1.0
  Pb  Pb2  4  0.2500  0.5002  0.2469  1.0
  Pb  Pb3  2  0.2405  0.7500  0.5745  1.0
  Pb  Pb4  2  0.2512  0.7500  0.9191  1.0
]