data_[In9Sn3Pb6Se24]
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 [8.2638]
_cell_length_b [8.2638]
_cell_length_c [22.2447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In3Sn(PbSe4)2]
_chemical_formula_sum '[In9 Sn3 Pb6 Se24]'
_cell_volume [1315.5824]
_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  0.1687  0.3374  0.3333  1.0
  Sn  Sn1  3  0.0000  0.0000  0.1192  1.0
  Pb  Pb2  3  0.0000  0.0000  0.5052  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8731  1.0
  Se  Se4  9  0.0223  0.5111  0.2631  1.0
  Se  Se5  9  0.1746  0.3492  0.0731  1.0
  Se  Se6  3  0.0000  0.0000  0.2692  1.0
  Se  Se7  3  0.0000  0.0000  0.7319  1.0
]