data_[Rb1Li1Tl1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0372]
_cell_length_b [7.1280]
_cell_length_c [8.4982]
_cell_angle_alpha [87.5738]
_cell_angle_beta [89.9322]
_cell_angle_gamma [65.7170]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbLiTlBr6]
_chemical_formula_sum '[Rb1 Li1 Tl1 Br6]'
_cell_volume [332.9950]
_cell_formula_units_Z [1]
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  1  0.0366  0.0659  0.1255  1.0
  Li  Li1  1  0.6882  0.6129  0.4244  1.0
  Tl  Tl2  1  0.3946  0.2504  0.6297  1.0
  Br  Br3  1  0.0058  0.5634  0.1729  1.0
  Br  Br4  1  0.2943  0.6418  0.6149  1.0
  Br  Br5  1  0.5072  0.5568  0.1661  1.0
  Br  Br6  1  0.5610  0.0183  0.8840  1.0
  Br  Br7  1  0.5760  0.0132  0.3866  1.0
  Br  Br8  1  0.9363  0.2770  0.5958  1.0
]