data_[Sb2Pb2S4I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5581]
_cell_length_b [5.2996]
_cell_length_c [8.7275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SbPbS2I]
_chemical_formula_sum '[Sb2 Pb2 S4 I2]'
_cell_volume [335.5375]
_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
[
  Sb  Sb0  2  0.3385  0.7500  0.5795  1.0
  Pb  Pb1  2  0.2930  0.7500  0.0572  1.0
  S  S2  2  0.4378  0.2500  0.5856  1.0
  S  S3  2  0.4541  0.2500  0.1468  1.0
  I  I4  2  0.0670  0.2500  0.7913  1.0
]