data_[Cs4H2Se2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7377]
_cell_length_b [5.6513]
_cell_length_c [10.5409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2HSeI]
_chemical_formula_sum '[Cs4 H2 Se2 I2]'
_cell_volume [457.9666]
_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  0.2261  0.2500  0.3656  1.0
  Cs  Cs1  2  0.2659  0.2500  0.8905  1.0
  H  H2  2  0.3546  0.7500  0.2408  1.0
  Se  Se3  2  0.2322  0.7500  0.1217  1.0
  I  I4  2  0.2722  0.7500  0.6291  1.0
]