data_[Pb8S4Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [17.8370]
_cell_length_b [4.3882]
_cell_length_c [10.5679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pb4S2Cl5]
_chemical_formula_sum '[Pb8 S4 Cl10]'
_cell_volume [794.6611]
_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
[
  Pb  Pb0  4  0.0036  0.0000  0.7858  1
  Pb  Pb1  4  0.1551  0.5000  0.5806  1
  S  S2  4  0.0016  0.5000  0.3789  1
  Cl  Cl3  4  0.1651  0.0000  0.7724  1
  Cl  Cl4  4  0.1685  0.0000  0.3879  1
  Cl  Cl5  2  0.0000  0.5000  0.0000  1
]