data_[Tb1Tl1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9095]
_cell_length_b [9.2826]
_cell_length_c [7.2802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbTl(PbBr4)2]
_chemical_formula_sum '[Tb1 Tl1 Pb2 Br8]'
_cell_volume [466.8842]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2507  0.5000  1.0
  Br  Br3  4  0.2387  0.2172  0.1556  1.0
  Br  Br4  2  0.2389  0.0000  0.6805  1.0
  Br  Br5  2  0.2692  0.5000  0.6332  1.0
]