data_[Rb8Sn8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [23.1605]
_cell_length_b [9.1845]
_cell_length_c [6.9361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Rb2Sn2Se5]
_chemical_formula_sum '[Rb8 Sn8 Se20]'
_cell_volume [1444.2569]
_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
[
  Rb  Rb0  4  0.1234  0.1883  0.8435  1
  Rb  Rb1  4  0.3574  0.3642  0.1770  1
  Sn  Sn2  4  0.2939  0.1521  0.6407  1
  Sn  Sn3  4  0.4973  0.1328  0.6745  1
  Se  Se4  4  0.0840  0.2192  0.3158  1
  Se  Se5  4  0.2460  0.3710  0.7413  1
  Se  Se6  4  0.2615  0.0988  0.2614  1
  Se  Se7  4  0.4005  0.2644  0.7215  1
  Se  Se8  4  0.4860  0.1333  0.2884  1
]