data_[Cs4Rb12Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.7571]
_cell_length_b [5.2123]
_cell_length_c [11.6486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRb3Se2]
_chemical_formula_sum '[Cs4 Rb12 Se8]'
_cell_volume [1058.6425]
_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  0.1080  0.0000  0.6058  1
  Rb  Rb1  4  0.0038  0.0000  0.8564  1
  Rb  Rb2  4  0.1728  0.5000  0.9648  1
  Rb  Rb3  4  0.1731  0.5000  0.3385  1
  Se  Se4  4  0.0064  0.5000  0.3208  1
  Se  Se5  4  0.1976  0.0000  0.1779  1
]