data_[Rb4Tl2P2Br12]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8958]
_cell_length_b [8.2043]
_cell_length_c [13.7933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2TlPBr6]
_chemical_formula_sum '[Rb4 Tl2 P2 Br12]'
_cell_volume [736.4933]
_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  4  0.2288  0.5651  0.7478  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  P  P2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1337  0.7347  0.4591  1.0
  Br  Br4  4  0.2283  0.1775  0.4598  1.0
  Br  Br5  4  0.3002  0.5151  0.2218  1.0
]