data_[In2Pb10Se4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.9686]
_cell_length_b [10.7673]
_cell_length_c [7.7092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [InPb5(SeS2)2]
_chemical_formula_sum '[In2 Pb10 Se4 S8]'
_cell_volume [744.4606]
_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  0.0000  0.0000  0.4127  1
  Pb  Pb1  8  0.2434  0.1870  0.8814  1
  Pb  Pb2  2  0.5000  0.0000  0.4262  1
  Se  Se3  4  0.5000  0.2131  0.1841  1
  S  S4  4  0.0000  0.1870  0.2212  1
  S  S5  4  0.2189  0.0000  0.6153  1
]