data_[Rb4Tl4Se8]
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 [P2_1/c]
_cell_length_a [10.2939]
_cell_length_b [5.0245]
_cell_length_c [12.3385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbTlSe2]
_chemical_formula_sum '[Rb4 Tl4 Se8]'
_cell_volume [578.1004]
_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  0.3603  0.5077  0.3094  1.0
  Tl  Tl1  4  0.0646  0.6452  0.8766  1.0
  Se  Se2  4  0.1828  0.1670  0.0415  1.0
  Se  Se3  4  0.3739  0.0503  0.5279  1.0
]