data_[Rb6Tl8In2]
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 [Imm2]
_cell_length_a [7.2796]
_cell_length_b [8.2341]
_cell_length_c [11.6363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Rb3Tl4In]
_chemical_formula_sum '[Rb6 Tl8 In2]'
_cell_volume [697.4917]
_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  0.2325  0.5660  1.0
  Rb  Rb1  2  0.0000  0.0000  0.9359  1.0
  Tl  Tl2  4  0.0000  0.3067  0.2414  1.0
  Tl  Tl3  4  0.2416  0.5000  0.7939  1.0
  In  In4  2  0.0000  0.5000  0.0126  1.0
]