data_[Cs2Y2Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8052]
_cell_length_b [7.0374]
_cell_length_c [9.6357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsYSnS4]
_chemical_formula_sum '[Cs2 Y2 Sn2 S8]'
_cell_volume [437.2648]
_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  0.2632  0.2500  0.0558  1.0
  Y  Y1  2  0.2089  0.2500  0.5463  1.0
  Sn  Sn2  2  0.2441  0.7500  0.3454  1.0
  S  S3  4  0.0084  0.5051  0.6867  1.0
  S  S4  2  0.4530  0.7500  0.1891  1.0
  S  S5  2  0.4878  0.7500  0.5852  1.0
]