data_[Cs4Na4Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3504]
_cell_length_b [4.7976]
_cell_length_c [9.8168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNaPbS2]
_chemical_formula_sum '[Cs4 Na4 Pb4 S8]'
_cell_volume [718.7383]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.1697  0.5000  0.6660  1.0
  Na  Na1  4  0.1891  0.5000  0.0576  1.0
  Pb  Pb2  4  0.0565  0.0000  0.2003  1.0
  S  S3  4  0.1287  0.0000  0.9577  1.0
  S  S4  4  0.1417  0.5000  0.3140  1.0
]