data_[Rb4Tl4Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5248]
_cell_length_b [4.7005]
_cell_length_c [8.0611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tl2Se3]
_chemical_formula_sum '[Rb4 Tl4 Se6]'
_cell_volume [565.6005]
_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  4  0.1066  0.5000  0.8487  1.0
  Tl  Tl1  4  0.1680  0.0000  0.3042  1.0
  Se  Se2  4  0.2181  0.0000  0.6911  1.0
  Se  Se3  2  0.0000  0.0000  0.0000  1.0
]