data_[Cs8Cr4Se8]
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 [Cmc2_1]
_cell_length_a [3.9123]
_cell_length_b [13.3991]
_cell_length_c [13.6112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2CrSe2]
_chemical_formula_sum '[Cs8 Cr4 Se8]'
_cell_volume [713.5208]
_cell_formula_units_Z [4]
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  0.0000  0.0828  0.6403  1.0
  Cs  Cs1  4  0.0000  0.3315  0.8367  1.0
  Cr  Cr2  4  0.0000  0.3745  0.5019  1.0
  Se  Se3  4  0.0000  0.0511  0.9028  1.0
  Se  Se4  4  0.0000  0.1977  0.1036  1.0
]