data_[Rb6Tl16In6]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3752]
_cell_length_b [11.8031]
_cell_length_c [15.3792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Rb3Tl8In3]
_chemical_formula_sum '[Rb6 Tl16 In6]'
_cell_volume [975.7196]
_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  0.0000  0.0000  0.2087  1
  Rb  Rb1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  8  0.0000  0.2882  0.3637  1
  Tl  Tl3  8  0.0000  0.3568  0.1570  1
  In  In4  4  0.0000  0.1705  0.0000  1
  In  In5  2  0.0000  0.5000  0.5000  1
]