data_[In12Sn3Pb3Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3102]
_cell_length_b [8.3102]
_cell_length_c [21.1995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In4SnPbSe8]
_chemical_formula_sum '[In12 Sn3 Pb3 Se24]'
_cell_volume [1267.8824]
_cell_formula_units_Z [3]
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  9  0.0008  0.5004  0.4995  1.0
  In  In1  3  0.0000  0.0000  0.6191  1.0
  Sn  Sn2  3  0.0000  0.0000  0.3754  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0032  1.0
  Se  Se4  9  0.0109  0.5055  0.7625  1.0
  Se  Se5  9  0.1755  0.3510  0.5746  1.0
  Se  Se6  3  0.0000  0.0000  0.2341  1.0
  Se  Se7  3  0.0000  0.0000  0.7582  1.0
]