data_[Rb1Tl2Sn1Br8]
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/m]
_cell_length_a [6.9815]
_cell_length_b [9.6237]
_cell_length_c [7.2653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbTl2SnBr8]
_chemical_formula_sum '[Rb1 Tl2 Sn1 Br8]'
_cell_volume [488.1099]
_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  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  2  0.5000  0.2522  0.5000  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2268  0.1991  0.1434  1.0
  Br  Br4  2  0.2195  0.0000  0.7009  1.0
  Br  Br5  2  0.2746  0.5000  0.6243  1.0
]