data_[Li4Si2Pb2Se6S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  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 [Cm]
_cell_length_a [8.0158]
_cell_length_b [9.5815]
_cell_length_c [6.1660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2SiPbSe3S]
_chemical_formula_sum '[Li4 Si2 Pb2 Se6 S2]'
_cell_volume [365.1209]
_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
[
  Li  Li0  4  0.4951  0.2409  0.5043  1
  Si  Si1  2  0.4993  0.0000  0.9862  1
  Pb  Pb2  2  0.0063  0.0000  0.0080  1
  Se  Se3  4  0.3386  0.1956  0.9968  1
  Se  Se4  2  0.3571  0.5000  0.3872  1
  S  S5  2  0.4698  0.0000  0.6162  1
]