data_[Cs4Tl2P2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [8.1413]
_cell_length_b [8.1087]
_cell_length_c [14.1380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2TlPBr6]
_chemical_formula_sum '[Cs4 Tl2 P2 Br12]'
_cell_volume [762.7751]
_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
[
  Cs  Cs0  4  0.2515  0.5118  0.7497  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  0.1996  0.0006  0.7237  1.0
  Br  Br4  4  0.2183  0.2420  0.5114  1.0
  Br  Br5  4  0.2537  0.7084  0.0130  1.0
]