data_[Rb2Sn4Se6]
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 [Pmc2_1]
_cell_length_a [3.9847]
_cell_length_b [11.9754]
_cell_length_c [8.1935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [RbSn2Se3]
_chemical_formula_sum '[Rb2 Sn4 Se6]'
_cell_volume [390.9821]
_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
[
  Rb  Rb0  2  0.0000  0.1366  0.4998  1.0
  Sn  Sn1  2  0.0000  0.2237  0.0046  1.0
  Sn  Sn2  2  0.5000  0.4855  0.5571  1.0
  Se  Se3  2  0.0000  0.3963  0.2280  1.0
  Se  Se4  2  0.5000  0.0925  0.1431  1.0
  Se  Se5  2  0.5000  0.3042  0.7686  1.0
]