data_[Rb8Tl4Sn4Br20]
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 [Cmc2_1]
_cell_length_a [5.0052]
_cell_length_b [19.9893]
_cell_length_c [14.4559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2TlSnBr5]
_chemical_formula_sum '[Rb8 Tl4 Sn4 Br20]'
_cell_volume [1446.3173]
_cell_formula_units_Z [4]
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  0.1095  0.6874  1.0
  Rb  Rb1  4  0.0000  0.1451  0.3028  1.0
  Tl  Tl2  4  0.0000  0.2188  0.0189  1.0
  Sn  Sn3  4  0.0000  0.4675  0.4537  1.0
  Br  Br4  4  0.0000  0.0520  0.0601  1.0
  Br  Br5  4  0.0000  0.2809  0.6663  1.0
  Br  Br6  4  0.0000  0.3320  0.3665  1.0
  Br  Br7  4  0.0000  0.3848  0.9999  1.0
  Br  Br8  4  0.0000  0.4874  0.7685  1.0
]