data_[Rb2Nb1Tl1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6432]
_cell_length_b [8.6398]
_cell_length_c [9.3531]
_cell_angle_alpha [77.7959]
_cell_angle_beta [70.2396]
_cell_angle_gamma [76.8651]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2NbTlBr8]
_chemical_formula_sum '[Rb2 Nb1 Tl1 Br8]'
_cell_volume [486.6733]
_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  2  0.1367  0.5404  0.7020  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.5000  0.0000  0.5000  1.0
  Br  Br3  2  0.0247  0.0330  0.2611  1.0
  Br  Br4  2  0.2267  0.7213  0.0183  1.0
  Br  Br5  2  0.3453  0.1194  0.8599  1.0
  Br  Br6  2  0.3500  0.3660  0.3836  1.0
]