data_[Cs8Se2I2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5020]
_cell_length_b [8.0611]
_cell_length_c [10.8037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs4SeIF]
_chemical_formula_sum '[Cs8 Se2 I2 F2]'
_cell_volume [702.5317]
_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  4  0.0023  0.5002  0.7174  1
  Cs  Cs1  2  0.4324  0.7500  0.1525  1
  Cs  Cs2  2  0.4324  0.7500  0.5696  1
  Se  Se3  2  0.2333  0.2500  0.5578  1
  I  I4  2  0.2666  0.2500  0.0635  1
  F  F5  2  0.2275  0.7500  0.3079  1
]