data_[Cs2Sn1Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.9661]
_cell_length_b [6.9661]
_cell_length_c [8.3111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Cs2Sn(BiS3)2]
_chemical_formula_sum '[Cs2 Sn1 Bi2 S6]'
_cell_volume [349.2734]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.5055  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  2  0.3333  0.6667  0.0009  1.0
  S  S3  6  0.0101  0.6995  0.1829  1.0
]