data_[Rb4Tl2Bi2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.0347]
_cell_length_b [9.6214]
_cell_length_c [7.7092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Rb2TlBiSe4]
_chemical_formula_sum '[Rb4 Tl2 Bi2 Se8]'
_cell_volume [599.8076]
_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  0.4499  0.5000  1
  Rb  Rb1  2  0.0000  0.7237  0.0000  1
  Tl  Tl2  2  0.0000  0.2748  0.0000  1
  Bi  Bi3  2  0.0000  0.9842  0.5000  1
  Se  Se4  4  0.1695  0.1557  0.4072  1
  Se  Se5  4  0.2378  0.4348  0.0447  1
]