data_[Cs2In2Cu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2996]
_cell_length_b [3.8930]
_cell_length_c [9.7101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsInCuS3]
_chemical_formula_sum '[Cs2 In2 Cu2 S6]'
_cell_volume [329.9253]
_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  0.2064  0.2500  0.2441  1.0
  In  In1  2  0.3405  0.7500  0.8766  1.0
  Cu  Cu2  2  0.0734  0.2500  0.6020  1.0
  S  S3  2  0.1410  0.2500  0.8555  1.0
  S  S4  2  0.1767  0.7500  0.5515  1.0
  S  S5  2  0.4815  0.7500  0.1599  1.0
]