data_[Cs2As2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9023]
_cell_length_b [6.9838]
_cell_length_c [9.5504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsAsPbS4]
_chemical_formula_sum '[Cs2 As2 Pb2 S8]'
_cell_volume [438.3130]
_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
[
  Cs  Cs0  2  0.2759  0.2500  0.0655  1.0
  As  As1  2  0.2097  0.7500  0.3267  1.0
  Pb  Pb2  2  0.2373  0.2500  0.5411  1.0
  S  S3  4  0.0061  0.5006  0.2860  1.0
  S  S4  2  0.3982  0.7500  0.5575  1.0
  S  S5  2  0.3993  0.7500  0.1808  1.0
]