data_[Cs1H2Se1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9219]
_cell_length_b [7.3620]
_cell_length_c [8.4825]
_cell_angle_alpha [80.2186]
_cell_angle_beta [78.0045]
_cell_angle_gamma [72.9159]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsH2SeCl8]
_chemical_formula_sum '[Cs1 H2 Se1 Cl8]'
_cell_volume [401.4188]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  H  H1  2  0.0726  0.5666  0.2583  1.0
  Se  Se2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0251  0.8635  0.2782  1.0
  Cl  Cl4  2  0.0741  0.3879  0.2530  1.0
  Cl  Cl5  2  0.3517  0.8493  0.9235  1.0
  Cl  Cl6  2  0.3553  0.5285  0.5676  1.0
]