data_[Cs2Cr4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9836]
_cell_length_b [3.7223]
_cell_length_c [6.1552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(CrSe2)2]
_chemical_formula_sum '[Cs2 Cr4 Se8]'
_cell_volume [396.1085]
_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  0.0000  0.5000  0.5000  1
  Cr  Cr1  4  0.2486  0.0000  0.2352  1
  Se  Se2  4  0.1642  0.5000  0.0192  1
  Se  Se3  4  0.1727  0.0000  0.5255  1
]