data_[Rb4Tl8Si4Se16]
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
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.2920]
_cell_length_b [10.8411]
_cell_length_c [10.8488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [RbTl2SiSe4]
_chemical_formula_sum '[Rb4 Tl8 Si4 Se16]'
_cell_volume [1092.8611]
_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  0.0000  0.5000  1
  Tl  Tl2  4  0.2500  0.2500  0.7500  1
  Si  Si3  4  0.2500  0.2500  0.2500  1
  Se  Se4  8  0.2365  0.2500  0.4645  1
  Se  Se5  8  0.2500  0.0349  0.2500  1
]