data_[Pr1Tl1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [6.9578]
_cell_length_b [9.1807]
_cell_length_c [7.3244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrTl(SnBr4)2]
_chemical_formula_sum '[Pr1 Tl1 Sn2 Br8]'
_cell_volume [467.7942]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.5000  0.2550  0.5000  1.0
  Br  Br3  4  0.2465  0.2263  0.1633  1.0
  Br  Br4  2  0.2482  0.0000  0.6752  1.0
  Br  Br5  2  0.2759  0.5000  0.6350  1.0
]