data_[Cs2Zn2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7018]
_cell_length_b [4.1038]
_cell_length_c [9.9059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZnBiS3]
_chemical_formula_sum '[Cs2 Zn2 Bi2 S6]'
_cell_volume [374.0696]
_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  0.1926  0.2500  0.2329  1.0
  Zn  Zn1  2  0.0863  0.2500  0.6070  1.0
  Bi  Bi2  2  0.3424  0.7500  0.8621  1.0
  S  S3  2  0.1399  0.2500  0.8549  1.0
  S  S4  2  0.1704  0.7500  0.5267  1.0
  S  S5  2  0.4488  0.7500  0.1424  1.0
]