data_[Rb2Tl4Sn2Br12]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7980]
_cell_length_b [8.8944]
_cell_length_c [13.4800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbTl2SnBr6]
_chemical_formula_sum '[Rb2 Tl4 Sn2 Br12]'
_cell_volume [794.7225]
_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  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2992  0.5633  0.7751  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.0893  0.5895  0.2236  1.0
  Br  Br4  4  0.2479  0.2415  0.0971  1.0
  Br  Br5  4  0.3383  0.6611  0.0318  1.0
]