data_[Cs2As4Pb4S12]
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 [C2/m]
_cell_length_a [8.7298]
_cell_length_b [8.3304]
_cell_length_c [10.4607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAs2(PbS3)2]
_chemical_formula_sum '[Cs2 As4 Pb4 S12]'
_cell_volume [713.9575]
_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  0.0000  0.5000  0.0000  1.0
  As  As1  4  0.1594  0.0000  0.2290  1.0
  Pb  Pb2  4  0.0000  0.2538  0.5000  1.0
  S  S3  8  0.1983  0.2824  0.7831  1.0
  S  S4  4  0.2064  0.0000  0.4640  1.0
]