data_[Rb1Tl1Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1097]
_cell_length_b [18.8387]
_cell_length_c [7.9638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [RbTlBr2]
_chemical_formula_sum '[Rb1 Tl1 Br2]'
_cell_volume [734.0030]
_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  0.2173  0.0000  0.9469  1
  Tl  Tl1  1  0.5112  0.0000  0.5006  1
  Br  Br2  2  0.6427  0.1019  0.7796  1
]