data_[Cs1Ag2Se1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  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 [6.0831]
_cell_length_b [6.2383]
_cell_length_c [10.9380]
_cell_angle_alpha [75.4538]
_cell_angle_beta [88.0622]
_cell_angle_gamma [86.7718]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAg2SeCl8]
_chemical_formula_sum '[Cs1 Ag2 Se1 Cl8]'
_cell_volume [401.0551]
_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  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.4468  0.5084  0.8121  1.0
  Se  Se2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1796  0.7275  0.1740  1.0
  Cl  Cl4  2  0.2011  0.8558  0.8371  1.0
  Cl  Cl5  2  0.2896  0.2565  0.0046  1.0
  Cl  Cl6  2  0.4810  0.2935  0.4008  1.0
]