data_[Cs2In2As4S14]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.2735]
_cell_length_b [10.4222]
_cell_length_c [7.0775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsInAs2S7]
_chemical_formula_sum '[Cs2 In2 As4 S14]'
_cell_volume [678.9526]
_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  0.0906  0.5000  1.0
  In  In1  2  0.0000  0.4947  0.0000  1.0
  As  As2  4  0.1997  0.8371  0.0765  1.0
  S  S3  4  0.1428  0.6665  0.2265  1.0
  S  S4  4  0.1671  0.4603  0.7243  1.0
  S  S5  4  0.1863  0.3197  0.1718  1.0
  S  S6  2  0.0000  0.9659  0.0000  1.0
]