data_[As2Pb12S6Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4254]
_cell_length_b [12.9263]
_cell_length_c [7.7060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AsPb6S3Cl2]
_chemical_formula_sum '[As2 Pb12 S6 Cl4]'
_cell_volume [697.9186]
_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
[
  As  As0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  8  0.2422  0.1541  0.2653  1.0
  Pb  Pb2  4  0.2301  0.0000  0.7415  1.0
  S  S3  4  0.0000  0.1564  0.5000  1.0
  S  S4  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  4  0.0000  0.3265  0.0000  1.0
]