data_[Cs2In2Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2148]
_cell_length_b [7.8476]
_cell_length_c [9.6001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsInSiS4]
_chemical_formula_sum '[Cs2 In2 Si2 S8]'
_cell_volume [448.8313]
_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  0.2719  0.2500  0.1087  1.0
  In  In1  2  0.3096  0.2500  0.6694  1.0
  Si  Si2  2  0.1752  0.7500  0.3017  1.0
  S  S3  4  0.0408  0.0324  0.7110  1.0
  S  S4  2  0.3255  0.7500  0.1246  1.0
  S  S5  2  0.4545  0.7500  0.4962  1.0
]