data_[Cs2Y2Sn2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0065]
_cell_length_b [7.3203]
_cell_length_c [9.9786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsYSnSe4]
_chemical_formula_sum '[Cs2 Y2 Sn2 Se8]'
_cell_volume [484.9845]
_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  0.2479  0.2500  0.0542  1.0
  Y  Y1  2  0.2154  0.2500  0.5480  1.0
  Sn  Sn2  2  0.2347  0.7500  0.3428  1.0
  Se  Se3  4  0.0214  0.5123  0.6920  1.0
  Se  Se4  2  0.4470  0.7500  0.1814  1.0
  Se  Se5  2  0.4810  0.7500  0.5893  1.0
]