data_[Rb4Tl8Te4Se16]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4000]
_cell_length_b [12.3577]
_cell_length_c [8.5896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.5767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbTl2TeSe4]
_chemical_formula_sum '[Rb4 Tl8 Te4 Se16]'
_cell_volume [984.6253]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.5000  0.0000  1
  Tl  Tl2  4  0.2500  0.2500  0.0000  1
  Te  Te3  4  0.2500  0.2500  0.5000  1
  Se  Se4  8  0.0296  0.2627  0.5175  1
  Se  Se5  8  0.2138  0.4825  0.4514  1
]